Glycoside
GD093622
Name:
NoneFormula:
C20H29O9N3Smiles:
CNC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O)NC(=O)OCc1ccccc1Aglycone:
CNC(=O)C(CO)NC(=O)OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 455.46 | Num_heavy_atoms: | 32 |
| TPSA: | 175.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD40433
Formula: C12H16O4N2
Smiles:
CNC(=O)C(CO)NC(=O)OCc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 87.66 | NumAromaticRings: | 1 |
