Glycoside

GD018132
Name:
NoneFormula:
C16H29O13NSSmiles:
CO[C@@H]1O[C@H](COS(C)(=O)=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=OAglycone:
COS(C)(=O)=OSugarmoiety:
COC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=OOther Identifiers
Properties
HBA: | 14 | RingCount: | 2 |
HBD: | 6 | FractionCSP3: | 0.94 |
AlogP: | -4.62 | Num_rotatable_bonds: | 8 |
MolWt: | 475.47 | Num_heavy_atoms: | 31 |
TPSA: | 210.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD02567
Formula: C2H6O3S
Smiles:
COS(C)(=O)=OHBA: | 3 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 1.0 |
AlogP: | -0.41 | Num_rotatable_bonds: | 1 |
MolWt: | 110.13 | Num_heavy_atoms: | 6 |
TPSA: | 43.37 | NumAromaticRings: | 0 |