Basic information
- CAS
131623-13-7- Standard SMILES
O=c1ccc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccoc3cc2o1- InChIKey
CVAHFYWRHVOEBA-AQFIFQLPSA-N- Molecular formula
- C17H16O9
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.07943208
Overview
Bergaptol-O-glucopyranoside has been reported in Glehnia littoralis, Ostericum grosseserratum, and Hansenia forbesii with data available.
Names & identifiers
- Preferred name
- Bergaptol-O-glucopyranoside
- IUPAC
- 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
- English name
- bergaptol-O-glucopyranoside
- Molecular formula
- C17H16O9
- Molecular weight
- 364.3
Names & synonyms
Bergaptol-O-glucopyranoside131623-13-74-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-oneDTXSID001571494-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyfuro(3,2-g)chromen-7-oneRefChem:119057DTXCID9079640Bergaptol-beta-glucopyranosideBergaptol O-beta-D-glucopyranosideBergaptol O-|A-D-glucopyranosideBergaptol-O-beta-D-glucopyranoside4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7H-furo[3,2-g]chromen-7-one
Show more names
Bergamot phenol glucosideBergaptol O-β-D-glucopyranosidebergaptolo-β-D-gluco-ryranoside
Bergaptol-?O-?Glucopyranosideorb1680315Bergaptol O-??-D-glucopyranosideBergaptol O-|?-D-glucopyranosideHY-N9322bergaptol-5-O-beta-D-glucopyranosideMSK197247TN6432
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Melting point
- 254 · 254-256 °C
- Boiling point
- 690.091 · 690.091±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.648 · 1.648±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.608 · 12.608±0.70(predicted)
Chemistry & industry
Applications
UsesBergaptol O-β-D-glucopyranoside possesses anti-gastric ulcer and anti-cancer effect[1].
Upstream & downstream products
Downstream products
Suppliers22 total
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]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
上海源叶生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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