Glycoside
GD093203
Name:
NoneFormula:
C22H21O5N2ClSSmiles:
N#Cc1c(-c2ccc(Cl)cc2)c2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c1=S)CCC2Aglycone:
N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=S)CCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.93 | Num_heavy_atoms: | 30 |
| TPSA: | 118.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD03980
Formula: C16H11N2ClS
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=S)CCC2| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.79 | Num_heavy_atoms: | 19 |
| TPSA: | 39.58 | NumAromaticRings: | 2 |
