Glycoside
GD019018
Name:
NoneFormula:
C24H18O3N5ClSmiles:
N#Cc1ccc(Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3[C@@H]2OC[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(Nc2ncnc3c2C(c2ccc(Cl)cc2)=C[N]3)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.88 | Num_heavy_atoms: | 32 |
| TPSA: | 116.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD13326
Formula: C20H11N5Cl
Smiles:
N#Cc1ccc(Nc2ncnc3c2C(c2ccc(Cl)cc2)=C[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.79 | Num_heavy_atoms: | 25 |
| TPSA: | 75.7 | NumAromaticRings: | 3 |
