Glycoside
GD003877
Name:
2-(6-amino-9H-purin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diolFormula:
C10H13O3N5SSmiles:
Nc1ncnc2c1ncn2C1O[C@H](CS)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(CS)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.31 | Num_heavy_atoms: | 19 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
