Glycoside
...
GD095232

Name:
None

Formula:
C19H31O9N2S

Smiles:
O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.[NH3+]C1CCCN(C(=O)c2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.63
AlogP: -0.79 Num_rotatable_bonds: 6
MolWt: 463.53 Num_heavy_atoms: 31
TPSA: 176.76 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
AD40648
Formula: C13H19ON2

Smiles:
[NH3+]C1CCCN(C(=O)c2ccccc2)CC1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.46
AlogP: 0.92 Num_rotatable_bonds: 1
MolWt: 219.31 Num_heavy_atoms: 16
TPSA: 47.95 NumAromaticRings: 1

Sugarmoiety
SD03900

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