Glycoside
...
GD083809

Name:
None

Formula:
C18H30O8NS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCCC(c2ccccc2)C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: 0.24 Num_rotatable_bonds: 6
MolWt: 420.5 Num_heavy_atoms: 28
TPSA: 156.45 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
AD37364
Formula: C12H18N

Smiles:
[NH3+]C1CCCC(c2ccccc2)C1
HBA: 1 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 1.95 Num_rotatable_bonds: 1
MolWt: 176.28 Num_heavy_atoms: 13
TPSA: 27.64 NumAromaticRings: 1

Sugarmoiety
SD03900

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