Glycoside
GD002603
Name:
NoneFormula:
C27H26O19Smiles:
O=C(O)[C@H]1O[C@@H](Oc2c(O)c(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@H]1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.49 | Num_heavy_atoms: | 46 |
| TPSA: | 323.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00203
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
