Glycoside
...
GD026392

Name:
None

Formula:
C14H25O20NS3

Smiles:
O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(CO)C(NS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1CO

Aglycone:
O=S(=O)(O)NC1C(CO)OC(COS(=O)(=O)O)C(O)C1O.O=S(=O)(O)O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1CO

Other Identifiers

Properties
HBA: 21 RingCount: 2
HBD: 9 FractionCSP3: 0.93
AlogP: -5.96 Num_rotatable_bonds: 12
MolWt: 623.54 Num_heavy_atoms: 38
TPSA: 339.51 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD17402
Formula: C7H15O11NS2

Smiles:
O=S(=O)(O)NC1C(CO)OC(COS(=O)(=O)O)C(O)C1O
HBA: 12 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.95 Num_rotatable_bonds: 6
MolWt: 353.33 Num_heavy_atoms: 21
TPSA: 199.92 NumAromaticRings: 0

Sugarmoiety
SD02705

O=C(O)C1OC(O)C(O)C(O)C1CO