Glycoside
...
GD095240

Name:
None

Formula:
C19H31O10N2S

Smiles:
COc1ccc(C(=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.COc1ccc(C(=O)N2CCC([NH3+])CC2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.63
AlogP: -1.17 Num_rotatable_bonds: 7
MolWt: 479.53 Num_heavy_atoms: 32
TPSA: 185.99 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
AD35068
Formula: C13H19O2N2

Smiles:
COc1ccc(C(=O)N2CCC([NH3+])CC2)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.46
AlogP: 0.54 Num_rotatable_bonds: 2
MolWt: 235.31 Num_heavy_atoms: 17
TPSA: 57.18 NumAromaticRings: 1

Sugarmoiety
SD03900

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