Glycoside
GD012055
Name:
NoneFormula:
C19H20O4N5ClSmiles:
OC[C@@H]1OC(n2cnc3c(NCCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CCNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.84 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD09114
Formula: C14H11N5Cl
Smiles:
Clc1ccc(CCNc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.72 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
