Glycoside
...
GD097279

Name:
None

Formula:
C14H17O10NCl2S2

Smiles:
COc1c(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)sc(Cl)c1Cl

Aglycone:
COS(O)(O)O.COc1c(C(N)=O)sc(Cl)c1Cl

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: 0.76 Num_rotatable_bonds: 6
MolWt: 470.31 Num_heavy_atoms: 27
TPSA: 178.17 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 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
AD41356
Formula: C8H5O2NCl2S

Smiles:
COc1c(C(N)=O)sc(Cl)c1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 2.16 Num_rotatable_bonds: 2
MolWt: 226.08 Num_heavy_atoms: 12
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O