Glycoside
GD106809
Name:
NoneFormula:
C23H33O13NSSmiles:
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]1SC(C)(C)[C@@H](C(=O)O)N1C(C)=OAglycone:
CC(=O)N1CSC(C)(C)C1C(=O)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: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 563.58 | Num_heavy_atoms: | 38 |
| TPSA: | 189.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD44220
Formula: C8H13O3NS
Smiles:
CC(=O)N1CSC(C)(C)C1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.26 | Num_heavy_atoms: | 13 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
