1.0 2010-04-08 22:10:21 UTC 2025-11-18 23:39:32 UTC FDB012785 Kaempferol 3-gentiobioside 7-rhamnoside Constituent of Sauropus androgynus (katuk). Kaempferol 3-gentiobioside 7-rhamnoside is found in green vegetables. 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Kaempferol 3-gentiobioside 7-rhamnoside Kaempferol 3-gentiobioside-7-rhamnoside Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside C33H40O20 756.6587 756.21129372 5-hydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 173740-43-7 CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3 QFSDWLPMRWDFID-UHFFFAOYSA-N belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring. Withanolides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Dihydropyranones Enoate esters Hydrocarbon derivatives Hydroxysteroids Ketones Lactones Monocarboxylic acids and derivatives Monosaccharides Naphthofurans Organic oxides Oxacyclic compounds Oxepanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 5-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dihydropyranone Enoate ester Ether Hydrocarbon derivative Hydroxysteroid Ketone Lactone Monocarboxylic acid or derivatives Monosaccharide Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Polyol Pyran Secondary alcohol Tertiary alcohol Tetrahydrofuran Withanolide-skeleton logp -0.66 ALOGPS logs -2.03 ALOGPS solubility 7.04e+00 g/l ALOGPS melting_point Mp 218-219° logp -2.8 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 756.6587 ChemAxon mono_mass 756.21129372 ChemAxon smiles CC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O20 ChemAxon inchi InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3 ChemAxon inchikey QFSDWLPMRWDFID-UHFFFAOYSA-N ChemAxon polar_surface_area 324.44 ChemAxon refractivity 170.31 ChemAxon polarizability 72.89 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 780647 Specdb::CMs 780648 Specdb::CMs 780649 Specdb::CMs 780650 Specdb::CMs 780651 Specdb::CMs 780652 Specdb::CMs 780653 Specdb::CMs 780654 Specdb::CMs 780655 Specdb::CMs 780656 Specdb::CMs 780657 Specdb::CMs 780658 Specdb::CMs 780659 Specdb::CMs 780660 Specdb::CMs 780661 Specdb::CMs 780662 Specdb::CMs 780663 Specdb::CMs 780664 Specdb::CMs 780665 Specdb::CMs 780666 Specdb::CMs 780667 Specdb::CMs 780668 Specdb::CMs 780669 Specdb::CMs 780670 Specdb::MsMs 57663 Specdb::MsMs 57664 Specdb::MsMs 57665 Specdb::MsMs 113409 Specdb::MsMs 113410 Specdb::MsMs 113411 Specdb::MsMs 2248219 Specdb::MsMs 2250176 Specdb::MsMs 2250199 Specdb::MsMs 3048638 Specdb::MsMs 3048639 Specdb::MsMs 3048640 Specdb::MsMs 3118489 Specdb::MsMs 3118490 Specdb::MsMs 3118491 Specdb::NmrOneD 126218 Specdb::NmrOneD 126219 Specdb::NmrOneD 126220 Specdb::NmrOneD 126221 Specdb::NmrOneD 126222 Specdb::NmrOneD 126223 Specdb::NmrOneD 126224 Specdb::NmrOneD 126225 Specdb::NmrOneD 126226 Specdb::NmrOneD 126227 Specdb::NmrOneD 126228 Specdb::NmrOneD 126229 Specdb::NmrOneD 126230 Specdb::NmrOneD 126231 Specdb::NmrOneD 126232 Specdb::NmrOneD 126233 Specdb::NmrOneD 126234 Specdb::NmrOneD 126235 Specdb::NmrOneD 126236 Specdb::NmrOneD 126237 HMDB34396 #<Reference:0x000055ce31d5a2f0> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Green vegetables Unknown generic Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949