Glycoside
GD016687
Name:
MONNIERISIDE BFormula:
C21H26O11Smiles:
CC(=CCc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc2oc(CO)cc(=O)c2c1O)COAglycone:
CC(=CCc1c(O)cc2oc(CO)cc(=O)c2c1O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.43 | Num_heavy_atoms: | 32 |
| TPSA: | 190.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD11978
Formula: C15H16O6
Smiles:
CC(=CCc1c(O)cc2oc(CO)cc(=O)c2c1O)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.29 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
