Glycoside
GD020654
Name:
NoneFormula:
C23H24O3N5ClSmiles:
CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3OC[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc2c(c(NCc3cccc(Cl)c3)n1)N=C[N]2Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.92 | Num_heavy_atoms: | 31 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD14229
Formula: C19H17N5Cl
Smiles:
CCCCC#Cc1nc2c(c(NCc3cccc(Cl)c3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.82 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
