Basic information
- CAS
125448-43-3- Standard SMILES
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1O- InChIKey
HLNPLLKKVMGOKC-UHFFFAOYSA-N- Molecular formula
- C47H74O19
- Average molar mass
- 943.1 g/mol
- Monoisotopic mass
- 942.48243013
Overview
Medicoside H has been reported in Medicago sativa with data available.
Names & identifiers
- Preferred name
- Medicoside H
- IUPAC
- 8a-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Names & synonyms
Medicoside HSCHEMBL29935036
Database identifiers
- CAS
125448-43-3- PubChem CID
- 14431925
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 312 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,860
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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