Glycoside
GD005857
Name:
NoneFormula:
C17H21O4N6ClSmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.84 | Num_heavy_atoms: | 27 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
