Glycoside
GD106806
Name:
NoneFormula:
C21H31O12NSSmiles:
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]1N[C@@H](C(=O)O)C(C)(C)S1Aglycone:
CC1(C)SCNC1C(=O)OSugarmoiety:
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: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.54 | Num_heavy_atoms: | 35 |
| TPSA: | 180.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD24864
Formula: C6H11O2NS
Smiles:
CC1(C)SCNC1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
