Glycoside
GD013053
Name:
NoneFormula:
C25H26O8N4Smiles:
N#Cc1ccc(C(=O)NCC(CNC(=O)c2ccc(C#N)cc2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(C(=O)NCC(O)CNC(=O)c2ccc(C#N)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 205.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD09791
Formula: C19H16O3N4
Smiles:
N#Cc1ccc(C(=O)NCC(O)CNC(=O)c2ccc(C#N)cc2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 348.36 | Num_heavy_atoms: | 26 |
| TPSA: | 126.01 | NumAromaticRings: | 2 |
