Glycoside
GD031252
Name:
NoneFormula:
C26H28O12Smiles:
O=C1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)Cc3ccc(O)cc3)[C@H]2OC(=O)Cc2ccc(O)cc2)CO1Aglycone:
O=C(O)Cc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1.O=C1CC(O)CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 178.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD05359
Formula: C4H6O3
Smiles:
O=C1CC(O)CO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
