Glycoside
GD062722
Name:
NoneFormula:
C16H21O8NSmiles:
COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=OAglycone:
COc1cc(C=O)ccc1OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.34 | Num_heavy_atoms: | 25 |
| TPSA: | 134.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD21340
Formula: C8H8O3
Smiles:
COc1cc(C=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
