Glycoside
GD006333
Name:
NoneFormula:
C23H23O5N2ClSSmiles:
N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2Aglycone:
N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=S)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.96 | Num_heavy_atoms: | 31 |
| TPSA: | 118.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD05256
Formula: C17H13N2ClS
Smiles:
N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=S)CCCC2| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.81 | Num_heavy_atoms: | 20 |
| TPSA: | 39.58 | NumAromaticRings: | 2 |
