Glycoside
...
GD082744

Name:
None

Formula:
C15H26O9N2S

Smiles:
N#CC1(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCCCC1

Aglycone:
COS(O)(O)O.N#CC1(CC(N)=O)CCCCC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.87
AlogP: -0.07 Num_rotatable_bonds: 6
MolWt: 410.45 Num_heavy_atoms: 27
TPSA: 192.73 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
AD29300
Formula: C9H14ON2

Smiles:
N#CC1(CC(N)=O)CCCCC1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.78
AlogP: 1.34 Num_rotatable_bonds: 2
MolWt: 166.22 Num_heavy_atoms: 12
TPSA: 66.88 NumAromaticRings: 0

Sugarmoiety
SD00017

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