Glycoside
GD062652
Name:
NoneFormula:
C16H21O9NSmiles:
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=OAglycone:
COc1cc(C(=O)O)ccc1OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 371.34 | Num_heavy_atoms: | 26 |
| TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
