Glycoside
GD030635
Name:
NoneFormula:
C17H19O3N5Cl2Smiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21Aglycone:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.26 | Num_heavy_atoms: | 25 |
| TPSA: | 105.32 | 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 |
