Glycoside
...
GD003987

Name:
None

Formula:
C36H62O16S5

Smiles:
O=C(O)CCSCCCOC[C@@H]1O[C@H](OCCCSCCC(=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.O=C(O)CCSCCCO

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

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 5 FractionCSP3: 0.86
AlogP: 4.89 Num_rotatable_bonds: 41
MolWt: 911.21 Num_heavy_atoms: 57
TPSA: 241.88 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
SD00017

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