Glycoside
...
GD086566

Name:
None

Formula:
C15H29O11N2S

Smiles:
CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1=O

Aglycone:
CC(C)(C)OC(=O)N1CC([NH3+])CC1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.87
AlogP: -1.95 Num_rotatable_bonds: 5
MolWt: 445.47 Num_heavy_atoms: 29
TPSA: 203.06 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
AD30592
Formula: C9H17O3N2

Smiles:
CC(C)(C)OC(=O)N1CC([NH3+])CC1=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.78
AlogP: -0.24 Num_rotatable_bonds: 0
MolWt: 201.25 Num_heavy_atoms: 14
TPSA: 74.25 NumAromaticRings: 0

Sugarmoiety
SD03900

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