Glycoside
GD031704
Name:
MONNIERISIDE GFormula:
C21H26O10Smiles:
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD20405
Formula: C15H16O5
Smiles:
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C(C)(C)O)C3| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
