Glycoside
GD013175
Name:
MARYLAURENCINOSIDE AFormula:
C21H24O9Smiles:
COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1O)-c1c(O)cccc1CC2Aglycone:
COc1cc2c(c(O)c1O)-c1c(O)cccc1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD09869
Formula: C15H14O4
Smiles:
COc1cc2c(c(O)c1O)-c1c(O)cccc1CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
