Glycoside
GD027168
Name:
NoneFormula:
C24H20O6N3ClSmiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccn2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1=OAglycone:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccn2)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 469.88 | Num_heavy_atoms: | 33 |
| TPSA: | 148.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD17880
Formula: C18H10ON3Cl
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccn2)[nH]c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 307.74 | Num_heavy_atoms: | 22 |
| TPSA: | 69.54 | NumAromaticRings: | 3 |
