Basic information
- CAS
39524-13-5- Standard SMILES
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
UCVNVSOIAFGLPL-UUWFFIQNSA-N- Molecular formula
- C41H66O13
- Average molar mass
- 767 g/mol
- Monoisotopic mass
- 766.45034216
Overview
HN-saponin F has been reported in Lonicera macrantha, Sanguisorba officinalis, and other organisms with data available.
Names & identifiers
- Preferred name
- HN-saponin F
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Names & synonyms
HN-saponin F39524-13-5HN Saponin Fpulsatilla BSCHEMBL29517264DTXSID2013180621-O-[3beta-(alpha-L-Arabinopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
Database identifiers
- CAS
39524-13-5- PubChem CID
- 14101171
- DTXSID
DTXSID201318062- Nikkaji
- J270.906F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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