Glycoside
GD031824
Name:
NoneFormula:
C22H23O5N2ClSmiles:
Cn1cc2cc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)ccc2n1Aglycone:
Cn1cc2cc(Cc3ccccc3Cl)ccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.88 | Num_heavy_atoms: | 29 |
| TPSA: | 107.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD20475
Formula: C16H13N2Cl
Smiles:
Cn1cc2cc(Cc3ccccc3Cl)ccc2n1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.74 | Num_heavy_atoms: | 18 |
| TPSA: | 17.82 | NumAromaticRings: | 3 |
