Glycoside
GD099889
Name:
NoneFormula:
C20H29O11NSSmiles:
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1SCCN1C(C)=OAglycone:
CC(=O)N1CCSC1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 491.52 | Num_heavy_atoms: | 33 |
| TPSA: | 151.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD42287
Formula: C5H9ONS
Smiles:
CC(=O)N1CCSC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 131.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
