Glycoside
...
GD128535

Name:
9-{2-[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]-3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}-3-methyl-5-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}non-8-enoic acid

Formula:
C47H66O25

Smiles:
COc1cc(C=CCc2c(C=CCCC(=O)CC(C)(CC(=O)O)OC3OC(CO)C(O)C(O)C3O)cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c2OC)cc(OC)c1OC1OC(CO)C(O)C(O)C1O

Aglycone:
COc1cc(C=CCc2c(C=CCCC(=O)CC(C)(O)CC(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O

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

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 13 FractionCSP3: 0.62
AlogP: -2.86 Num_rotatable_bonds: 24
MolWt: 1031.02 Num_heavy_atoms: 72
TPSA: 389.43 NumAromaticRings: 2

Unique Aglycone
AD52062
Formula: C29H36O10

Smiles:
COc1cc(C=CCc2c(C=CCCC(=O)CC(C)(O)CC(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O
HBA: 10 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: 4.37 Num_rotatable_bonds: 15
MolWt: 544.6 Num_heavy_atoms: 39
TPSA: 151.98 NumAromaticRings: 2

Sugarmoiety
SD00130

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