Glycoside
...
GD086567

Name:
None

Formula:
C18H31O8N2S

Smiles:
C[C@@H]1C[C@@H](N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[N@@H+]1Cc1ccccc1

Aglycone:
CC1CC(N)C[NH+]1Cc1ccccc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -1.22 Num_rotatable_bonds: 7
MolWt: 435.52 Num_heavy_atoms: 29
TPSA: 156.31 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
AD32119
Formula: C12H19N2

Smiles:
CC1CC(N)C[NH+]1Cc1ccccc1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.19 Num_rotatable_bonds: 2
MolWt: 191.3 Num_heavy_atoms: 14
TPSA: 30.46 NumAromaticRings: 1

Sugarmoiety
SD00017

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