Glycoside
GD106268
Name:
NoneFormula:
C22H31O13NSSmiles:
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)N1C(C)=OAglycone:
COC(=O)C1CSCN1C(C)=OSugarmoiety:
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: | 0 | FractionCSP3: | 0.68 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 549.55 | Num_heavy_atoms: | 37 |
| TPSA: | 178.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD44137
Formula: C7H11O3NS
Smiles:
COC(=O)C1CSCN1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.24 | Num_heavy_atoms: | 12 |
| TPSA: | 46.61 | NumAromaticRings: | 0 |
