Glycoside
GD083967
Name:
NoneFormula:
C18H22O5N6Smiles:
COc1cccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1Aglycone:
COc1cccc(CCNc2ncnc3c2N=C[N]3)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.41 | Num_heavy_atoms: | 29 |
| TPSA: | 147.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD37453
Formula: C13H13ON6
Smiles:
COc1cccc(CCNc2ncnc3c2N=C[N]3)n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 269.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.39 | NumAromaticRings: | 2 |
