Glycoside
...
GD153872

Name:
2-{[2-({12-[(4-{[4-(acetyloxy)-3,5-dihydroxyoxan-2-yl]oxy}-3-{[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2,6,10-trimethyldodeca-2,6,10-trien-1-yl}oxy)-3-{[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxyoxan-4-yl acetate

Formula:
C61H94O34

Smiles:
CC(=O)OC1C(O)COC(OC2C(O)C(CO)OC(OCC=C(C)CCC=C(C)CCC=C(C)COC3OC(CO)C(O)C(OC4OCC(O)C(OC(C)=O)C4O)C3OC3OC(C)C(OC(C)=O)C(O)C3OC(C)=O)C2OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C1O

Aglycone:
CC(=CCCC(C)=CCCC(C)=CCO)CO

Sugarmoiety:
CC(=O)OC1C(O)COC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C1O.CC(=O)OC1C(O)COC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 6
HBD: 10 FractionCSP3: 0.8
AlogP: -2.93 Num_rotatable_bonds: 28
MolWt: 1371.39 Num_heavy_atoms: 95
TPSA: 470.86 NumAromaticRings: 0

Unique Aglycone
AD48101
Formula: C15H26O2

Smiles:
CC(=CCCC(C)=CCCC(C)=CCO)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.6
AlogP: 3.37 Num_rotatable_bonds: 8
MolWt: 238.37 Num_heavy_atoms: 17
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD10172

CC(=O)OC1C(O)COC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C1O.CC(=O)OC1C(O)COC(OC2C(O)C(CO)OC(O)C2OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C1O