Basic information
- CAS
69651-80-5- Standard SMILES
COc1ccc([C@@H]2CC(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3O2)cc1O- InChIKey
QSLBWGKNSBMTJL-YMTXFHFDSA-N- Molecular formula
- C22H24O11
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.13186158
Overview
Hesperetin 5-O-glucoside has been reported in Prunus davidiana with data available.
Names & identifiers
- Preferred name
- (2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- IUPAC
- (2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- English name
- hesperetin 5-O-glucoside
- Molecular formula
- C22H24O11
- Molecular weight
- 464.42
Names & synonyms
69651-80-5Hesperetin 5-|A-D-glucopyranoside(2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one(S)-7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-oneHesperetin-5-glucoside(2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-onehesperetin-5-O-glucosidehesperetin-5-O-glucopyranosideCHEMBL463462orb1682430SCHEMBL31720540DTXSID10989771
Show more names
hesperetin 5-O-glucoside4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
HY-N8793TN4206AKOS030531730FS-8616CS-0149080(2S)-7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-2,3-dihydro-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl hexopyranoside
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Boiling point
- 830.7 · 830.7±65.0 °C(Predicted)
- Density
- 1.569 · 1.569±0.06 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.40(Predicted)
Chemistry & industry
Applications
UsesHesperetin 5-O-glucoside is a metabolite found in Longan fruit. It was also found in tumorous stem mustard leaf/stem extracts, which have antioxidant and antitumour activity.
Suppliers17 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
陕西萃程生物医药科技有限公司13186333400 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…