Glycoside
GD033816
Name:
NoneFormula:
C18H18O5N4Smiles:
Cn1ccc2c3c(-c4ccoc4)ncnc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c21Aglycone:
Cn1ccc2c1[N]c1ncnc(-c3ccoc3)c1-2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.37 | Num_heavy_atoms: | 27 |
| TPSA: | 118.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD21559
Formula: C13H9ON4
Smiles:
Cn1ccc2c1[N]c1ncnc(-c3ccoc3)c1-2| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.24 | Num_heavy_atoms: | 18 |
| TPSA: | 57.95 | NumAromaticRings: | 3 |
