Glycoside
...
GD081195

Name:
None

Formula:
C15H33O9N2S

Smiles:
CC1(C)CC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC(C)(C)N1O

Aglycone:
CC1(C)CC([NH3+])CC(C)(C)N1O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 9 FractionCSP3: 1.0
AlogP: -1.08 Num_rotatable_bonds: 5
MolWt: 417.5 Num_heavy_atoms: 27
TPSA: 179.92 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
AD29057
Formula: C9H21ON2

Smiles:
CC1(C)CC([NH3+])CC(C)(C)N1O
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: 0.64 Num_rotatable_bonds: 0
MolWt: 173.28 Num_heavy_atoms: 12
TPSA: 51.11 NumAromaticRings: 0

Sugarmoiety
SD03900

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