Glycoside
GD035585
Name:
NoneFormula:
C22H20O5N4Smiles:
Cn1ccc2c1c1c(-c3cc4ccccc4o3)ncnc1n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cn1ccc2c1-c1c(ncnc1-c1cc3ccccc3o1)[N]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
AD22508
Formula: C17H11ON4
Smiles:
Cn1ccc2c1-c1c(ncnc1-c1cc3ccccc3o1)[N]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 |
