Stichloroside C2
Basic information
- CAS
78244-70-9- Standard SMILES
C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC)C7O)C6OC6OC(C)C(OC7OCC(OC8OCC(O)C(OC9OC(CO)C(O)C(OC)C9O)C8O)C(O)C7O)C(O)C6O)CCC45C)C2(C)CCC13)OC(C)=O- InChIKey
XUSLYKOYHLINDU-UHFFFAOYSA-N- Molecular formula
- C68H108O32
- Average molar mass
- 1,437.6 g/mol
- Monoisotopic mass
- 1,436.6823713
Names & identifiers
- Preferred name
- Stichloroside C2
- IUPAC
- [1-[16-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3-[5-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpent-4-en-2-yl] acetate
Names & synonyms
STICHLOROSIDE C278244-70-9Lanosta-7,25-dien-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-O-(O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-xylopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2))-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,9beta,23S)-
Database identifiers
- CAS
78244-70-9- PubChem CID
- 157176
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 465 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 23
- Heavy atoms
- 100
- Formal charge
- 0
- Complexity
- 2,860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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