Glycoside
GD106366
Name:
NoneFormula:
C23H20O14Smiles:
COc1c(-c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc3c(c(=O)c-2c1O)OCO3Aglycone:
COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(=O)c-2c1O)OCO3Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.4 | Num_heavy_atoms: | 37 |
| TPSA: | 214.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD44161
Formula: C17H12O8
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(=O)c-2c1O)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 118.59 | NumAromaticRings: | 1 |
