Glycoside

GD096106
Name:
NoneFormula:
C17H22O11N2S2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)c2nccs2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NS(=O)(=O)c1nccs1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.59 |
AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
MolWt: | 494.5 | Num_heavy_atoms: | 32 |
TPSA: | 173.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD27262
Formula: C3H4O2N2S2
Smiles:
NS(=O)(=O)c1nccs1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.21 | Num_rotatable_bonds: | 1 |
MolWt: | 164.21 | Num_heavy_atoms: | 9 |
TPSA: | 73.05 | NumAromaticRings: | 1 |