Glycoside
...
GD071348

Name:
None

Formula:
C14H28O9N2S

Smiles:
CCN1CCCC[C@@H]1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCN1CCCCC1C(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.93
AlogP: -1.06 Num_rotatable_bonds: 6
MolWt: 400.45 Num_heavy_atoms: 26
TPSA: 172.18 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
AD25513
Formula: C8H16ON2

Smiles:
CCN1CCCCC1C(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.88
AlogP: 0.35 Num_rotatable_bonds: 2
MolWt: 156.23 Num_heavy_atoms: 11
TPSA: 46.33 NumAromaticRings: 0

Sugarmoiety
SD00017

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