Basic information
- CAS
6875-10-1- Standard SMILES
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC=O)CC43O)C2)C1O- InChIKey
XKWTVJAWBRFKLO-UHFFFAOYSA-N- Molecular formula
- C31H46O10
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.30909766
Names & identifiers
- Preferred name
- Formylstrospeside
- IUPAC
- [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
Names & synonyms
FORMYLSTROSPESIDEDTXSID809884533-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-20(22)-enolide
Database identifiers
- CAS
6875-10-1- PubChem CID
- 197858
- DTXSID
DTXSID80988453
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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