Glycoside
GD036535
Name:
NoneFormula:
C21H25O3N6ClSmiles:
CC(C)NC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(C)C.Clc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.91 | Num_heavy_atoms: | 30 |
| TPSA: | 117.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00552
Formula: C4H11N
Smiles:
CNC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.14 | Num_heavy_atoms: | 5 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
AD02987
Formula: C13H9N5Cl
Smiles:
Clc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
