Glycoside
GD031675
Name:
NoneFormula:
C22H20O5N4Smiles:
Cn1ccc2c3c(-c4cc5ccccc5o4)ncnc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c21Aglycone:
Cn1ccc2c1[N]c1ncnc(-c3cc4ccccc4o3)c1-2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.43 | Num_heavy_atoms: | 31 |
| TPSA: | 118.7 | NumAromaticRings: | 5 |
Unique Aglycone
AD20387
Formula: C17H11ON4
Smiles:
Cn1ccc2c1[N]c1ncnc(-c3cc4ccccc4o3)c1-2| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.3 | Num_heavy_atoms: | 22 |
| TPSA: | 57.95 | NumAromaticRings: | 4 |
