Glycoside
GD019819
Name:
NoneFormula:
C16H20O5N2SSmiles:
N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2Aglycone:
N#Cc1cc2c([nH]c1=S)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.41 | Num_heavy_atoms: | 24 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD11218
Formula: C10H10N2S
Smiles:
N#Cc1cc2c([nH]c1=S)CCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.27 | Num_heavy_atoms: | 13 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
