(3I(2),12I(2))-20-(I(2)-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside
Basic information
- CAS
226712-37-4- Standard SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
GOHCSRAOXZPHFO-HUGMCNGHSA-N- Molecular formula
- C47H80O17
- Average molar mass
- 917.1 g/mol
- Monoisotopic mass
- 916.53955108
Names & identifiers
- Preferred name
- (3I(2),12I(2))-20-(I(2)-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
Vinaginsenoside R16DTXSID601110979(3I(2),12I(2))-20-(I(2)-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside226712-37-4
Database identifiers
- CAS
226712-37-4- PubChem CID
- 165367665
- DTXSID
DTXSID601110979
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 278 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,630
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…