Glycoside
GD011594
Name:
SPECIOSIDEFormula:
C24H28O12Smiles:
O=C(C=Cc1ccc(O)cc1)O[C@H]1[C@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2[C@]2(CO)O[C@@H]12Aglycone:
O=C(C=Cc1ccc(O)cc1)OC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD08844
Formula: C18H18O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C2C=COC(O)C2C2(CO)OC12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
