Glycoside
GD085497
Name:
NoneFormula:
C21H26O5N4Smiles:
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NCc3cccnc3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)NCc1cccnc1.CNC(=O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.46 | Num_heavy_atoms: | 30 |
| TPSA: | 132.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD23110
Formula: C8H10ON2
Smiles:
CC(=O)NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
AD33094
Formula: C9H12ON2
Smiles:
CNC(=O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
