Glycoside
...
GD074067

Name:
None

Formula:
C14H33O8N2S

Smiles:
CC[NH+](CC)CC[C@H](C)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC[NH+](CC)CCC(C)N.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 8 FractionCSP3: 1.0
AlogP: -1.76 Num_rotatable_bonds: 10
MolWt: 389.49 Num_heavy_atoms: 25
TPSA: 156.31 NumAromaticRings: 0

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
AD26578
Formula: C8H21N2

Smiles:
CC[NH+](CC)CCC(C)N
HBA: 2 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.35 Num_rotatable_bonds: 5
MolWt: 145.27 Num_heavy_atoms: 10
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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