Glycoside
GD038423
Name:
(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diolFormula:
C17H19O3N5S2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1OAglycone:
CSSCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.51 | Num_heavy_atoms: | 27 |
| TPSA: | 119.31 | NumAromaticRings: | 3 |
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 |
AD12506
Formula: C8H10S2
Smiles:
CSSCc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.3 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
