Glycoside
GD106288
Name:
NoneFormula:
C21H31O13NSSmiles:
COC(=O)[C@@H]1CS[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)N1COAglycone:
COC(=O)C1CSCN1COSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 537.54 | Num_heavy_atoms: | 36 |
| TPSA: | 181.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD44140
Formula: C6H11O3NS
Smiles:
COC(=O)C1CSCN1CO| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.22 | Num_heavy_atoms: | 11 |
| TPSA: | 49.77 | NumAromaticRings: | 0 |
