Glycoside
...
GD063017

Name:
None

Formula:
C12H25O9NS

Smiles:
CC1(C)C[C@@H](N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CO1

Aglycone:
CC1(C)CC(N)CO1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 1.0
AlogP: -0.89 Num_rotatable_bonds: 5
MolWt: 359.4 Num_heavy_atoms: 23
TPSA: 161.1 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
AD25011
Formula: C6H13ON

Smiles:
CC1(C)CC(N)CO1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.51 Num_rotatable_bonds: 0
MolWt: 115.18 Num_heavy_atoms: 8
TPSA: 35.25 NumAromaticRings: 0

Sugarmoiety
SD00017

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