Darendoside B
Basic information
- CAS
94410-28-3- Standard SMILES
CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(O)c1ccc(OC)c(O)c1- InChIKey
ZLPXZRZUFKQINJ-DDPVKAFRSA-N- Molecular formula
- C21H32O12
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.18937645
Overview
from Scutellaria orientalis subsp. pinnatifida; structure given in first source
Names & identifiers
- Preferred name
- Darendoside B
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
- English name
- darendoside B
- Molecular formula
- C21H32O12
- Molecular weight
- 476.48
Names & synonyms
Deacyl martynosidebeta-(3-Hydroxy-4-methoxyphenyl)ethyl O-alpha-L-rhamnopyranosyl-(1-3)-O-beta-D-glucopyranosidebeta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-RefChem:91966794410-28-3Darendoside B(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triolDTXSID10915550Ethyl 3-O-(6-deoxyhexopyranosyl)-2-C-(3-hydroxy-4-methoxyphenyl)hexopyranosideEthyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-2-C-(3-hydroxy-4-methoxyphenyl)-beta-D-glucopyranosidedeacylmartynosideβ-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-
Database identifiers
- CAS
94410-28-3- PubChem CID
- 192240
- DTXSID
DTXSID10915550
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- Boiling point
- 745.6 · 745.6±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.10(Predicted)
Chemistry & industry
Applications
DescriptionDarendoside B is a new phenethyl alcohol glycosides, were isolated from the methanolic extract of the aerial parts of Scutellaria orientalis subsp.
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