Glycoside
GD004993
Name:
NoneFormula:
C20H18O4N6Cl2Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cc(Cl)cc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1cc(Cl)cc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.29 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD02127
Formula: C14H8N5Cl2
Smiles:
Clc1cc(Cl)cc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
