1.0
2010-04-08 22:11:29 UTC
2018-05-29 01:15:05 UTC
FDB014825
Physcion 8-gentiobioside
Constituent of seeds of sicklepod (Cassia torosa)
Physcion 8-gentiobioside
Physcion 8-O-beta-D-gentiobioside
Physcion diglucoside
Physcion-β-d-gentiobioside
Physcion-β-d-glucoside
Physcion-beta -D-gentiobioside
Physcion-beta -D-glucoside
Physciondiglucoside
C28H32O15
608.5447
608.174120354
1-hydroxy-3-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
1-hydroxy-3-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}anthracene-9,10-dione
84268-38-2
COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C2=O
InChI=1S/C28H32O15/c1-9-3-11-18(22(34)17-12(19(11)31)5-10(39-2)6-13(17)30)14(4-9)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3
LHWONDXFTUKXDH-UHFFFAOYSA-N
belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
Anthraquinones
Organic compounds
Benzenoids
Anthracenes
Anthraquinones
Aromatic heteropolycyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Acetals
Alkyl aryl ethers
Anisoles
Aryl ketones
Disaccharides
Hydrocarbon derivatives
O-glycosyl compounds
Organic oxides
Oxacyclic compounds
Oxanes
Phenolic glycosides
Polyols
Primary alcohols
Secondary alcohols
Vinylogous acids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
9,10-anthraquinone
Acetal
Alcohol
Alkyl aryl ether
Anisole
Anthraquinone
Aromatic heteropolycyclic compound
Aryl ketone
Disaccharide
Ether
Glycosyl compound
Hydrocarbon derivative
Ketone
O-glycosyl compound
Organic oxide
Organic oxygen compound
Organoheterocyclic compound
Organooxygen compound
Oxacycle
Oxane
Phenolic glycoside
Polyol
Primary alcohol
Secondary alcohol
Vinylogous acid
logp
-0.27
ALOGPS
logs
-2.24
ALOGPS
solubility
3.53e+00 g/l
ALOGPS
melting_point
Mp 221-223°
logp
-0.72
ChemAxon
pka_strongest_acidic
9.31
ChemAxon
pka_strongest_basic
-3
ChemAxon
iupac
1-hydroxy-3-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
ChemAxon
average_mass
608.5447
ChemAxon
mono_mass
608.174120354
ChemAxon
smiles
COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C2=O
ChemAxon
formula
C28H32O15
ChemAxon
inchi
InChI=1S/C28H32O15/c1-9-3-11-18(22(34)17-12(19(11)31)5-10(39-2)6-13(17)30)14(4-9)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3
ChemAxon
inchikey
LHWONDXFTUKXDH-UHFFFAOYSA-N
ChemAxon
polar_surface_area
242.13
ChemAxon
refractivity
141.17
ChemAxon
polarizability
59.57
ChemAxon
rotatable_bond_count
7
ChemAxon
acceptor_count
15
ChemAxon
donor_count
8
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::MsMs
71274
Specdb::MsMs
71275
Specdb::MsMs
71276
Specdb::MsMs
129915
Specdb::MsMs
129916
Specdb::MsMs
129917
Specdb::MsMs
2740894
Specdb::MsMs
2740895
Specdb::MsMs
2740896
Specdb::MsMs
2938203
Specdb::MsMs
2938204
Specdb::MsMs
2938205
Specdb::CMs
21559
Specdb::CMs
492446
Specdb::CMs
492447
Specdb::CMs
492448
Specdb::CMs
492449
Specdb::CMs
492450
Specdb::CMs
492451
Specdb::CMs
492452
Specdb::CMs
492453
Specdb::CMs
492454
Specdb::CMs
492455
Specdb::CMs
492456
Specdb::CMs
492457
Specdb::CMs
492458
Specdb::CMs
492459
Specdb::CMs
492460
Specdb::CMs
492461
Specdb::CMs
492462
Specdb::CMs
492463
Specdb::CMs
492464
Specdb::CMs
492465
Specdb::CMs
492466
Specdb::CMs
492467
Specdb::CMs
492468
Specdb::CMs
492469
Specdb::NmrOneD
133118
Specdb::NmrOneD
133119
Specdb::NmrOneD
133120
Specdb::NmrOneD
133121
Specdb::NmrOneD
133122
Specdb::NmrOneD
133123
Specdb::NmrOneD
133124
Specdb::NmrOneD
133125
Specdb::NmrOneD
133126
Specdb::NmrOneD
133127
Specdb::NmrOneD
133128
Specdb::NmrOneD
133129
Specdb::NmrOneD
133130
Specdb::NmrOneD
133131
Specdb::NmrOneD
133132
Specdb::NmrOneD
133133
Specdb::NmrOneD
133134
Specdb::NmrOneD
133135
Specdb::NmrOneD
133136
Specdb::NmrOneD
133137
HMDB36009
27598
#<Reference:0x000055ce32101db8>