Basic information
- Standard SMILES
COC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)c(SC[C@H](NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c1C(=O)OC- InChIKey
KXSJHWCCLCPZQW-FQEVSTJZSA-N- Molecular formula
- C34H31NO14S
- Average molar mass
- 709.7 g/mol
- Monoisotopic mass
- 709.14652584
Names & identifiers
- Preferred name
- methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate
- IUPAC
- methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate
Names & synonyms
NSC705340CHEMBL1978006NSC-705340NCI60_037637
Database identifiers
- PubChem CID
- 397481
- ChEMBL
CHEMBL1978006
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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