Glycoside
...
GD003961

Name:
None

Formula:
C35H54O22S4

Smiles:
CO[C@@H]1O[C@H](COCCCSC(CC(=O)O)C(=O)O)[C@H](OCCCSC(CC(=O)O)C(=O)O)[C@H](OCCCSC(CC(=O)O)C(=O)O)[C@H]1OCCCSC(CC(=O)O)C(=O)O

Aglycone:
COCCCSC(CC(=O)O)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 1
HBD: 8 FractionCSP3: 0.77
AlogP: 1.73 Num_rotatable_bonds: 38
MolWt: 955.06 Num_heavy_atoms: 61
TPSA: 353.78 NumAromaticRings: 0

Unique Aglycone
AD03526
Formula: C8H14O5S

Smiles:
COCCCSC(CC(=O)O)C(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.68 Num_rotatable_bonds: 8
MolWt: 222.26 Num_heavy_atoms: 14
TPSA: 83.83 NumAromaticRings: 0
AD03527
Formula: C7H12O5S

Smiles:
O=C(O)CC(SCCCO)C(=O)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.71
AlogP: 0.03 Num_rotatable_bonds: 7
MolWt: 208.23 Num_heavy_atoms: 13
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00009

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