Glycoside
GD008402
Name:
NoneFormula:
C22H22O4N6Cl2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 481.34 | Num_heavy_atoms: | 32 |
| TPSA: | 120.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD06713
Formula: C17H13N6Cl2
Smiles:
Clc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1Cl| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.22 | Num_heavy_atoms: | 23 |
| TPSA: | 58.72 | NumAromaticRings: | 2 |
