Glycoside
GD032742
Name:
NoneFormula:
C16H17O4N5Cl2Smiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21Aglycone:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.23 | Num_heavy_atoms: | 25 |
| TPSA: | 114.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD00046
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
