Glycoside
...
GD013220

Name:
None

Formula:
C41H62O26S5

Smiles:
O=C(O)CC(SCCCOC[C@@H]1O[C@H](OCCCSC(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)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.O=C(O)CC(SCCCO)C(=O)O

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

Other Identifiers

Properties
HBA: 26 RingCount: 1
HBD: 10 FractionCSP3: 0.76
AlogP: 2.16 Num_rotatable_bonds: 46
MolWt: 1131.26 Num_heavy_atoms: 72
TPSA: 428.38 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
SD00017

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