Glycoside
...
GD097369

Name:
None

Formula:
C17H29O10NS2

Smiles:
Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(C)c1C

Aglycone:
COS(O)(O)O.Cc1c(C)c(C)c(S(N)(=O)=O)c(C)c1C

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.65
AlogP: 0.47 Num_rotatable_bonds: 6
MolWt: 471.55 Num_heavy_atoms: 30
TPSA: 186.01 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
AD41396
Formula: C11H17O2NS

Smiles:
Cc1c(C)c(C)c(S(N)(=O)=O)c(C)c1C
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 1.88 Num_rotatable_bonds: 1
MolWt: 227.33 Num_heavy_atoms: 15
TPSA: 60.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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