Basic information
- Standard SMILES
CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](COC(C)=O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1- InChIKey
KSHXZTNTVMHABG-UWVPHLGHSA-N- Molecular formula
- C58H64O12
- Average molar mass
- 953.1 g/mol
Names & identifiers
- Preferred name
- Methyl 4-O-(2,3,6-tri-O-benzyl-4-deoxy-4-acetyloxymethy-alpha-D-glucopyranosyl)-2,3,6-tri-O-benzyl-alpha-D-glucopyranoside
- IUPAC
- [(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]methyl acetate
Names & synonyms
SCHEMBL8992096KSHXZTNTVMHABG-UWVPHLGHSA-Nmehyl 4-O-(2,3,6-tri-O-benzyl-4-deoxy-4-acetyloxymethyl-alpha-D-glucopyranosyl) -2,3,6-tri-O-benzyl-alpha-D-glucopyranosideMethyl 4-O-(2,3,6-tri-O-benzyl-4-deoxy-4-acetyloxymethy-alpha-D-glucopyranosyl)-2,3,6-tri-O-benzyl-alpha-D-glucopyranosideMethyl 4-O-(2,3,6-tri-O-benzyl-4-deoxy-4-acetyloxymethyl-alpha-D-glucopyranosyl)-2,3,6-tri-O-benzyl-alpha-D-glucopyranoside
Database identifiers
- PubChem CID
- 54010971
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 26
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
5 records
Compound notes
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