Glycoside
...
GD109749

Name:
None

Formula:
C25H50O11S

Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CS(O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO.CS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.96
AlogP: 3.42 Num_rotatable_bonds: 21
MolWt: 558.73 Num_heavy_atoms: 37
TPSA: 186.37 NumAromaticRings: 0

Unique Aglycone
AD01838
Formula: C19H38O4

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(O)CO
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.95
AlogP: 4.36 Num_rotatable_bonds: 17
MolWt: 330.51 Num_heavy_atoms: 23
TPSA: 66.76 NumAromaticRings: 0
AD24915
Formula: CH6O3S

Smiles:
CS(O)(O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.84 Num_rotatable_bonds: 0
MolWt: 98.12 Num_heavy_atoms: 5
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00017

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