Glycoside
GD018739
Name:
NoneFormula:
C34H42O14Smiles:
COc1cc(C=CC(=O)O[C@@H]2CC[C@H](O)[C@@H]3[C@H]2CC[C@]2(O)C(=O)O[C@H](c4ccoc4)C[C@]32C)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)OC2CCC(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.7 | Num_heavy_atoms: | 48 |
| TPSA: | 214.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD13163
Formula: C28H32O9
Smiles:
COc1cc(C=CC(=O)OC2CCC(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.56 | Num_heavy_atoms: | 37 |
| TPSA: | 135.66 | NumAromaticRings: | 2 |
