Clemontanoside B
Basic information
- CAS
129932-83-8- Standard SMILES
CC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O- InChIKey
HNMWWBLBQZSWGD-UHFFFAOYSA-N- Molecular formula
- C54H88O22
- Average molar mass
- 1,089.3 g/mol
- Monoisotopic mass
- 1,088.57672443
Overview
Clemontanoside B has been reported in Clematis montana with data available.
Names & identifiers
- Preferred name
- Clemontanoside B
- IUPAC
- [4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Names & synonyms
Clemontanoside B129932-83-8Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-2))-beta-D-glucopyranosyl ester, (3beta)-
Database identifiers
- CAS
129932-83-8- PubChem CID
- 179846
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 354 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 2,100
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…