Glycoside
GD067684
Name:
NoneFormula:
C17H23O8NSmiles:
COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=OAglycone:
COc1cc(C(C)=O)ccc1OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 369.37 | Num_heavy_atoms: | 26 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
