Glycoside
GD142075
Name:
Scopoletin 7-O-Beta-D-Sophoroside. Scopoletin SophorosideFormula:
C22H28O14Smiles:
COc1cc2ccc(=O)oc2cc1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.45 | Num_heavy_atoms: | 36 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
