Glycoside
...
GD075806

Name:
None

Formula:
C14H32O8N2S

Smiles:
C[NH+](C)[C@H]1CC[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.C[NH+](C)C1CCC([NH3+])CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 9 FractionCSP3: 1.0
AlogP: -3.03 Num_rotatable_bonds: 6
MolWt: 388.48 Num_heavy_atoms: 25
TPSA: 160.89 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
AD26622
Formula: C8H20N2

Smiles:
C[NH+](C)C1CCC([NH3+])CC1
HBA: 2 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.32 Num_rotatable_bonds: 1
MolWt: 144.26 Num_heavy_atoms: 10
TPSA: 32.08 NumAromaticRings: 0

Sugarmoiety
SD03900

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