Glycoside
GD016117
Name:
NoneFormula:
C17H19O6N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(O)c4O)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1cccc(CNc2ncnc3c2N=C[N]3)c1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.37 | Num_heavy_atoms: | 28 |
| TPSA: | 166.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD11642
Formula: C12H10O2N5
Smiles:
Oc1cccc(CNc2ncnc3c2N=C[N]3)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 19 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
