Glycoside
GD067844
Name:
NoneFormula:
C17H26O5N4Smiles:
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1OAglycone:
CC(=O)NCc1cccnc1.CNC(=O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.42 | Num_heavy_atoms: | 26 |
| TPSA: | 132.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD21840
Formula: C5H12ON2
Smiles:
CNC(=O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
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 |
