Glycoside
GD001197
Name:
NoneFormula:
C20H22O6N2SSmiles:
N#Cc1c(-c2ccco2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2Aglycone:
N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.47 | Num_heavy_atoms: | 29 |
| TPSA: | 132.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD01245
Formula: C14H12ON2S
Smiles:
N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.33 | Num_heavy_atoms: | 18 |
| TPSA: | 52.72 | NumAromaticRings: | 2 |
