Glycoside
...
GD115343

Name:
1-{[4,5,6-tris(2-hydroxybutoxy)-3-{[3,4,5-tris(2-hydroxybutoxy)-6-[(2-hydroxybutoxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methoxy}butan-2-ol

Formula:
C44H86O19

Smiles:
CCC(O)COCC1OC(OC2C(COCC(O)CC)OC(OCC(O)CC)C(OCC(O)CC)C2OCC(O)CC)C(OCC(O)CC)C(OCC(O)CC)C1OCC(O)CC

Aglycone:
CCC(O)CO.CCC(O)CO.CCC(O)CO.CCC(O)CO.CCC(O)CO.CCC(O)CO.CCC(O)COC.CCC(O)COC

Sugarmoiety:
CCC(O)CO.CCC(O)CO.OCO.OOC(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: 0.96 Num_rotatable_bonds: 36
MolWt: 919.15 Num_heavy_atoms: 63
TPSA: 263.37 NumAromaticRings: 0

Unique Aglycone
AD39062
Formula: C5H12O2

Smiles:
CCC(O)COC
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.4 Num_rotatable_bonds: 3
MolWt: 104.15 Num_heavy_atoms: 7
TPSA: 29.46 NumAromaticRings: 0
AD45608
Formula: C4H10O2

Smiles:
CCC(O)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.25 Num_rotatable_bonds: 2
MolWt: 90.12 Num_heavy_atoms: 6
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD04597

CCC(O)CO.CCC(O)CO.OCO.OOC(O)O