Glycoside
GD008100
Name:
NoneFormula:
C14H21O11NSSmiles:
CC(=O)OC[C@@H]1O[C@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(S(N)(=O)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.39 | Num_heavy_atoms: | 27 |
| TPSA: | 174.59 | 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 |
