Glycoside
GD031756
Name:
NoneFormula:
C24H30O10S2Smiles:
OC[C@@H]1O[C@H](SCC#Cc2ccc(C#CCS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
SCC#Cc1ccc(C#CCS)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.63 | Num_heavy_atoms: | 36 |
| TPSA: | 180.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD10761
Formula: C12H10S2
Smiles:
SCC#Cc1ccc(C#CCS)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.35 | Num_heavy_atoms: | 14 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
