Basic information
- CAS
54944-38-6- Standard SMILES
Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O- InChIKey
FKODDFZWQVWOAW-ONMHTNRHSA-N- Molecular formula
- C27H30O14
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 578.16355563
Names & identifiers
- Preferred name
- Chrysophanol-1-O-beta-gentiobioside
- IUPAC
- 8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
- English name
- Chrysophanol-1-O-β-gentiobioside
- Molecular formula
- C27H30O14
- Molecular weight
- 578.52
Names & synonyms
54944-38-6Chrysophanol-1-O-beta-gentiobiosideChrysophanol-1-O-|A-gentiobioside8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione9,10-Anthracenedione, 1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-orb1690468Chrysophanol-1-O--gentiobiosideDTXSID001121875Chrysophanol-1-O-|?-gentiobiosideHY-N7598AKOS040758189DA-72204
Show more names
Chrysophanol-o-β-gentiobiosideChrysophanol-1-O-β-gentiobiosideChrysophanol 1-O-β-gentiobiosidechrysophanol 1-O-beta-gentiobioside9,10-Anthracenedione, 1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-
CHRYSOPHANOL-1-O-??-GENTIOBIOSIDECHRYSOPHANOL-1-O-| cent-GENTIOBIOSIDECS-0134739D85143T406281-[(6-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-anthracene-9,10-dione8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 949
Physicochemical properties
- Melting point
- 275 · 275-277 °C(Solv: methanol (67-56-1))
- Boiling point
- 942 · 942.0±65.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 6.71 · 6.71±0.20(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
UsesChrysophanol-1-O-β-gentiobioside, an anthraquinone glycoside isolated from Cassia obtusifolia seeds. Chrysophanol-1-O-β-gentiobioside shows selective inhibition of hMAO-A isozyme activity (IC50=96.15 μM)[1].
Suppliers42 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Related reactions
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Compound notes
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