Glycoside
...
GD074988

Name:
None

Formula:
C15H31O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](NC2CC[NH+](CC3CC3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1CC[NH+](CC2CC2)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: -2.0 Num_rotatable_bonds: 7
MolWt: 399.49 Num_heavy_atoms: 26
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
AD26600
Formula: C9H19N2

Smiles:
NC1CC[NH+](CC2CC2)CC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -0.6 Num_rotatable_bonds: 2
MolWt: 155.26 Num_heavy_atoms: 11
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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