Glycoside
GD023708
Name:
NoneFormula:
C27H32O14Smiles:
C[C@@H]1O[C@H](OCc2cc(O)c3c(c2)[C@](O)([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00126
Formula: C15H12O5
Smiles:
O=C1c2c(O)cccc2C(O)c2cc(CO)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
