Glycoside
GD117022
Name:
5-Methoxy-8-O-Beta-D-Glucosyloxy-PsoralenFormula:
C18H18O10Smiles:
COc1c2ccoc2c(OC2OC(CO)C(O)C(O)C2O)c2oc(=O)ccc12Aglycone:
COc1c2ccoc2c(O)c2oc(=O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.33 | Num_heavy_atoms: | 28 |
| TPSA: | 151.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD46587
Formula: C12H8O5
Smiles:
COc1c2ccoc2c(O)c2oc(=O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.19 | Num_heavy_atoms: | 17 |
| TPSA: | 72.81 | NumAromaticRings: | 3 |
