Glycoside
GD096243
Name:
NoneFormula:
C18H29O11NSSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)CC(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C)CS(N)(=O)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 467.49 | Num_heavy_atoms: | 31 |
| TPSA: | 160.6 | 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 |
AD25082
Formula: C4H11O2NS
Smiles:
CC(C)CS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.2 | Num_heavy_atoms: | 8 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
