Glycoside
GD032918
Name:
NoneFormula:
C16H20O4N5ClSmiles:
CC(C)=CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)=CCNc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 369.81 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD21053
Formula: C11H11N5Cl
Smiles:
CC(C)=CCNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
