Glycoside
GD147610
Name:
2-(hydroxymethyl)-5-{6-[(3-methylbutyl)amino]-2-(methylsulfanyl)-9H-purin-9-yl}oxolane-3,4-diolFormula:
C16H25O4N5SSmiles:
CSc1nc(NCCC(C)C)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
CSc1nc2c(c(NCCC(C)C)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 383.47 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD59102
Formula: C11H16N5S
Smiles:
CSc1nc2c(c(NCCC(C)C)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 250.35 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
