Glycoside

GD094298
Name:
NoneFormula:
C14H19O10NS3Smiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1csc2ccccc12Aglycone:
COS(O)(O)O.NS(=O)(=O)c1csc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.43 |
AlogP: | 0.14 | Num_rotatable_bonds: | 6 |
MolWt: | 457.5 | Num_heavy_atoms: | 28 |
TPSA: | 186.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
MolWt: | 114.12 | Num_heavy_atoms: | 6 |
TPSA: | 69.92 | NumAromaticRings: | 0 |
AD34583
Formula: C8H7O2NS2
Smiles:
NS(=O)(=O)c1csc2ccccc12HBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
MolWt: | 213.28 | Num_heavy_atoms: | 13 |
TPSA: | 60.16 | NumAromaticRings: | 2 |