Glycoside
...
GD138323

Name:
6-[(3,7-dimethyl-8-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-1,6-dien-3-yl)oxy]-5-hydroxy-4-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-2-(hydroxymethyl)oxan-3-yl 6-hydroxy-2,6-dimethylocta-2,7-dienoate

Formula:
C42H64O17

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1C(CO)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C(C)=CCCC(C)(O)C=C

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 8 FractionCSP3: 0.64
AlogP: 1.25 Num_rotatable_bonds: 22
MolWt: 840.96 Num_heavy_atoms: 59
TPSA: 268.43 NumAromaticRings: 0

Unique Aglycone
AD01642
Formula: C10H16O3

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: 1.73 Num_rotatable_bonds: 5
MolWt: 184.23 Num_heavy_atoms: 13
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O