Glycoside
GD127163
Name:
2-(1,2-dihydroxyethyl)-5-(6-{[(2-hydroxyphenyl)methyl]amino}-2-(methylsulfanyl)-9H-purin-9-yl)oxolane-3,4-diolFormula:
C19H23O6N5SSmiles:
CSc1nc(NCc2ccccc2O)c2ncn(C3OC(C(O)CO)C(O)C3O)c2n1Aglycone:
CSc1nc2c(c(NCc3ccccc3O)n1)N=C[N]2Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.49 | Num_heavy_atoms: | 31 |
| TPSA: | 166.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD51485
Formula: C13H12ON5S
Smiles:
CSc1nc2c(c(NCc3ccccc3O)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.34 | Num_heavy_atoms: | 20 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
