Glycoside
GD076981
Name:
NoneFormula:
C18H21O5N5Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCc4cccc(O)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1cccc(CCNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.4 | Num_heavy_atoms: | 28 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD08191
Formula: C13H12ON5
Smiles:
Oc1cccc(CCNc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.27 | Num_heavy_atoms: | 19 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
