Glycoside
GD025291
Name:
NoneFormula:
C36H44O16Smiles:
COc1cc(C=CC(=O)O[C@@H]2C[C@H](OC(C)=O)[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)OC2CC(OC(C)=O)C(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 732.73 | Num_heavy_atoms: | 52 |
| TPSA: | 241.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD16787
Formula: C30H34O11
Smiles:
COc1cc(C=CC(=O)OC2CC(OC(C)=O)C(O)C3C2CCC2(O)C(=O)OC(c4ccoc4)CC32C)ccc1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.59 | Num_heavy_atoms: | 41 |
| TPSA: | 161.96 | NumAromaticRings: | 2 |
