Glycoside
GD013173
Name:
NoneFormula:
C23H22O5N3ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(-c4cccnc4)nn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(-c2cccnc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.89 | Num_heavy_atoms: | 31 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD09867
Formula: C17H12N3Cl
Smiles:
Clc1ccccc1Cc1ccc(-c2cccnc2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.75 | Num_heavy_atoms: | 20 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
