Glycoside
GD020442
Name:
NoneFormula:
C26H23O4N5Cl2Smiles:
OC[C@@H]1OC(n2cnc3c(NCC(c4ccccc4)c4c(Cl)cccc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1cccc(Cl)c1C(CNc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.39 | Num_heavy_atoms: | 35 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD14113
Formula: C21H14N5Cl2
Smiles:
Clc1cccc(Cl)c1C(CNc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.26 | Num_heavy_atoms: | 26 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
