Glycoside
GD017528
Name:
NoneFormula:
C21H20O10Smiles:
O=c1c(OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2ccccc12Aglycone:
COc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD12497
Formula: C16H12O5
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
