Glycoside
...
GD095365

Name:
None

Formula:
C20H36O9N3S

Smiles:
CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
CN(CCC[NH+](C)C)Cc1ccc(C(N)=O)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.65
AlogP: -1.65 Num_rotatable_bonds: 11
MolWt: 494.59 Num_heavy_atoms: 33
TPSA: 176.62 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
AD37070
Formula: C14H24ON3

Smiles:
CN(CCC[NH+](C)C)Cc1ccc(C(N)=O)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: -0.25 Num_rotatable_bonds: 7
MolWt: 250.37 Num_heavy_atoms: 18
TPSA: 50.77 NumAromaticRings: 1

Sugarmoiety
SD00017

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