Glycoside
GD017484
Name:
NoneFormula:
C18H24O5N2SSmiles:
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCCC2Aglycone:
N#Cc1cc2c([nH]c1=S)CCCCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.47 | Num_heavy_atoms: | 26 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD04238
Formula: C12H14N2S
Smiles:
N#Cc1cc2c([nH]c1=S)CCCCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.32 | Num_heavy_atoms: | 15 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
