Glycoside
GD106979
Name:
NoneFormula:
C22H33O12NSSmiles:
COC(=O)[C@H]1N[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)SC1(C)CAglycone:
COC(=O)C1NCSC1(C)CSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 535.57 | Num_heavy_atoms: | 36 |
| TPSA: | 169.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD27245
Formula: C7H13O2NS
Smiles:
COC(=O)C1NCSC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.25 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
