Basic information
- CAS
35910-15-7- Standard SMILES
Cc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2- InChIKey
UTBLUTBCAVVCIO-HPCBLLCTSA-N- Molecular formula
- C21H30O8
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.19406791
Names & identifiers
- Preferred name
- Pteroside A
- IUPAC
- (2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
- English name
- PTEROSINA
- Molecular formula
- C21H30O8
- Molecular weight
- 410.46
Names & synonyms
Pteroside A35910-15-7(2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one(S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, (S)-(2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyethyl)-3H-inden-1-oneRefChem:177124(2S)-Pteroside APTEROSINAorb1991750SCHEMBL29717584DTXSID00957328
Show more names
(S)-6-[2-(β-D-glucopyranosyloxy)ethyl]-2-(hydroxymethyl)-2,5,7-trimethyl-1-indanone1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-, (2S)-
CHEBI:176016HY-N7960AKOS040735009T1249622-[2-(Hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hexopyranoside2-[(2S)-2-(Hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl beta-D-glucopyranoside
Database identifiers
- CAS
35910-15-7- PubChem CID
- 169727
- DTXSID
DTXSID00957328- ChEBI
CHEBI:176016- Nikkaji
- J4.467I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Boiling point
- 662.9 · 662.9±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
Chemistry & industry
Applications
UsesPterosin A is used for treating diabetes and obesity.
Suppliers7 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Shanghai Standard Technology Co., Ltd.18502101150 · [email protected]
南京道斯夫生物科技有限公司16651696448 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Additional notes
DefinitionChEBI: Pteroside A is a glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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