Glycoside
GD024593
Name:
NoneFormula:
C18H21O3N5Cl2Smiles:
C[C@]1(O)[C@H](O)[C@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21Aglycone:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CCl)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.28 | Num_heavy_atoms: | 26 |
| 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 |
