Glycoside
GD070588
Name:
NoneFormula:
C17H22O5N2SSmiles:
N#Cc1cc2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c1=S)CCCCC2Aglycone:
N#Cc1cc2c([nH]c1=S)CCCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.44 | Num_heavy_atoms: | 25 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD11936
Formula: C11H12N2S
Smiles:
N#Cc1cc2c([nH]c1=S)CCCCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.3 | Num_heavy_atoms: | 14 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
