Glycoside
...
GD003477

Name:
None

Formula:
C31H54O14S4

Smiles:
CO[C@@H]1O[C@H](COCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@H]1OCCCSCCC(=O)O

Aglycone:
COCCCSCCC(=O)O.O=C(O)CCSCCCO.O=C(O)CCSCCCO.O=C(O)CCSCCCO

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

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 4 FractionCSP3: 0.87
AlogP: 3.92 Num_rotatable_bonds: 34
MolWt: 779.03 Num_heavy_atoms: 49
TPSA: 204.58 NumAromaticRings: 0

Unique Aglycone
AD03165
Formula: C7H14O3S

Smiles:
COCCCSCCC(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 1.23 Num_rotatable_bonds: 7
MolWt: 178.25 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 0
AD03166
Formula: C6H12O3S

Smiles:
O=C(O)CCSCCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.58 Num_rotatable_bonds: 6
MolWt: 164.23 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00009

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