Glycoside
GD022655
Name:
NoneFormula:
C21H21O8N2ClSmiles:
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(Cl)c1Aglycone:
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.85 | Num_heavy_atoms: | 31 |
| TPSA: | 145.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD15332
Formula: C15H11O3N2Cl
Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O)c(Cl)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.71 | Num_heavy_atoms: | 20 |
| TPSA: | 66.61 | NumAromaticRings: | 2 |
