Glycoside
GD105067
Name:
NoneFormula:
C24H22O5N2S2Smiles:
N#Cc1c2c(c(-c3cccs3)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c1=S)CCc1ccccc1-2Aglycone:
N#Cc1c2c(c(-c3cccs3)[nH]c1=S)CCc1ccccc1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.58 | Num_heavy_atoms: | 33 |
| TPSA: | 118.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD00316
Formula: C18H12N2S2
Smiles:
N#Cc1c2c(c(-c3cccs3)[nH]c1=S)CCc1ccccc1-2| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.44 | Num_heavy_atoms: | 22 |
| TPSA: | 39.58 | NumAromaticRings: | 3 |
