Glycoside
...
GD058432

Name:
None

Formula:
C11H22O8N2S

Smiles:
CC[C@H](CC#N)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCC(N)CC#N.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.91
AlogP: -0.77 Num_rotatable_bonds: 7
MolWt: 342.37 Num_heavy_atoms: 22
TPSA: 175.66 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
AD25154
Formula: C5H10N2

Smiles:
CCC(N)CC#N
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.64 Num_rotatable_bonds: 2
MolWt: 98.15 Num_heavy_atoms: 7
TPSA: 49.81 NumAromaticRings: 0

Sugarmoiety
SD00017

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