Glycoside
...
GD095452

Name:
None

Formula:
C18H31O10N2S2

Smiles:
Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)cc1

Aglycone:
COS(O)(O)O.Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -1.33 Num_rotatable_bonds: 7
MolWt: 499.58 Num_heavy_atoms: 32
TPSA: 193.83 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
AD37044
Formula: C12H19O2N2S

Smiles:
Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.39 Num_rotatable_bonds: 2
MolWt: 255.36 Num_heavy_atoms: 17
TPSA: 65.02 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O