Glycoside
...
GD093858

Name:
None

Formula:
C17H33O12N2S

Smiles:
COC(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C

Aglycone:
COC(=O)C1CC([NH3+])CN1C(=O)OC(C)(C)C.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 0.88
AlogP: -1.94 Num_rotatable_bonds: 6
MolWt: 489.52 Num_heavy_atoms: 32
TPSA: 212.29 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
AD36354
Formula: C11H21O4N2

Smiles:
COC(=O)C1CC([NH3+])CN1C(=O)OC(C)(C)C
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.82
AlogP: -0.22 Num_rotatable_bonds: 1
MolWt: 245.3 Num_heavy_atoms: 17
TPSA: 83.48 NumAromaticRings: 0

Sugarmoiety
SD03900

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