Glycoside
...
GD073660

Name:
None

Formula:
C14H27O9N2S

Smiles:
O=C1CC[C@@H]2C[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CCN12

Aglycone:
COS(O)(O)O.[NH3+]C1CCN2C(=O)CCC2C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.93
AlogP: -2.33 Num_rotatable_bonds: 5
MolWt: 399.44 Num_heavy_atoms: 26
TPSA: 176.76 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
AD26589
Formula: C8H15ON2

Smiles:
[NH3+]C1CCN2C(=O)CCC2C1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.88
AlogP: -0.62 Num_rotatable_bonds: 0
MolWt: 155.22 Num_heavy_atoms: 11
TPSA: 47.95 NumAromaticRings: 0

Sugarmoiety
SD03900

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