Basic information
- CAS
6246-81-7- Standard SMILES
COC1C(O)C(C)OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O- InChIKey
IGCZNTHBCXYVIT-UHFFFAOYSA-N- Molecular formula
- C30H46O10
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.30909766
Names & identifiers
- Preferred name
- Bipindaloside
- IUPAC
- 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Names & synonyms
BipindalosideBipindogenin-D-digitalosidBipindogenin-D-digitalosid [German]BRN 00715316246-81-74-18-00-03087 (Beilstein Handbook Reference)RefChem:329488DTXSID509780283-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide
Database identifiers
- CAS
6246-81-7- PubChem CID
- 201559
- DTXSID
DTXSID50978028
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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