Glycoside
...
GD086464

Name:
None

Formula:
C16H32O10N2S

Smiles:
C[C@@H]1C[C@@H](N[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:
CC1CC(N)CN1C(=O)OC(C)(C)C.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.94
AlogP: -0.06 Num_rotatable_bonds: 5
MolWt: 444.5 Num_heavy_atoms: 29
TPSA: 181.41 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
AD30424
Formula: C10H20O2N2

Smiles:
CC1CC(N)CN1C(=O)OC(C)(C)C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.9
AlogP: 1.34 Num_rotatable_bonds: 0
MolWt: 200.28 Num_heavy_atoms: 14
TPSA: 55.56 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O