Glycoside
GD010641
Name:
NoneFormula:
C23H22O4N4Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(Nc4ccc(O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 112.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD08194
Formula: C18H13ON4
Smiles:
Oc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 23 |
| TPSA: | 72.14 | NumAromaticRings: | 3 |
