Glycoside
GD094524
Name:
NoneFormula:
C18H27O13NSSmiles:
CCOC(=O)CS(=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:
CCOC(=O)CS(N)(=O)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 497.48 | Num_heavy_atoms: | 33 |
| TPSA: | 186.9 | 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 |
AD27454
Formula: C4H9O4NS
Smiles:
CCOC(=O)CS(N)(=O)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.19 | Num_heavy_atoms: | 10 |
| TPSA: | 86.46 | NumAromaticRings: | 0 |
