Glycoside
GD067754
Name:
2-(hydroxymethyl)-5-(6-{[(3-hydroxyphenyl)methyl]amino}-9H-purin-9-yl)oxolane-3,4-diolFormula:
C17H19O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(O)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.37 | Num_heavy_atoms: | 27 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD32229
Formula: C12H10ON5
Smiles:
Oc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
