Glycoside
GD014648
Name:
NoneFormula:
C18H19O4N3Smiles:
OC[C@@H]1O[C@H](n2ccc3c(Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(Cc3ccccc3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.37 | Num_heavy_atoms: | 25 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD10749
Formula: C13H10N3
Smiles:
C1=Cc2c(Cc3ccccc3)ncnc2[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.24 | Num_heavy_atoms: | 16 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
