Glycoside
GD094875
Name:
NoneFormula:
C17H27O12NSSmiles:
COCCS(=O)(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COCCS(N)(=O)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 469.47 | Num_heavy_atoms: | 31 |
| TPSA: | 169.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25501
Formula: C3H9O3NS
Smiles:
COCCS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.18 | Num_heavy_atoms: | 8 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
