Glycoside
...
GD005717

Name:
None

Formula:
C27H46O14S4

Smiles:
CO[C@@H]1O[C@H](COCCCSCC(=O)O)[C@H](OCCCSCC(=O)O)[C@H](OCCCSCC(=O)O)[C@H]1OCCCSCC(=O)O

Aglycone:
COCCCSCC(=O)O.O=C(O)CSCCCO.O=C(O)CSCCCO.O=C(O)CSCCCO

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 4 FractionCSP3: 0.85
AlogP: 2.36 Num_rotatable_bonds: 30
MolWt: 722.92 Num_heavy_atoms: 45
TPSA: 204.58 NumAromaticRings: 0

Unique Aglycone
AD04816
Formula: C6H12O3S

Smiles:
COCCCSCC(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 0.84 Num_rotatable_bonds: 6
MolWt: 164.23 Num_heavy_atoms: 10
TPSA: 46.53 NumAromaticRings: 0
AD04817
Formula: C5H10O3S

Smiles:
O=C(O)CSCCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.19 Num_rotatable_bonds: 5
MolWt: 150.2 Num_heavy_atoms: 9
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O