Glycoside
GD021409
Name:
NoneFormula:
C22H18O4N3ClSmiles:
OC[C@@H]1O[C@H](n2c3ccc(Cl)cc3c3c(-c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc2c(c1)-c1c(ncnc1-c1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.85 | Num_heavy_atoms: | 29 |
| TPSA: | 100.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD14643
Formula: C17H9N3Cl
Smiles:
Clc1ccc2c(c1)-c1c(ncnc1-c1ccccc1)[N]2| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.72 | Num_heavy_atoms: | 20 |
| TPSA: | 39.88 | NumAromaticRings: | 3 |
