Glycoside
...
GD148251

Name:
5-[(3-{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}prop-2-en-1-yl)oxy]-3-methyl-5-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoic acid

Formula:
C46H64O26

Smiles:
COc1cc(C=CCc2c(C=CCOC(=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=CCOC(=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: 26 RingCount: 5
HBD: 13 FractionCSP3: 0.61
AlogP: -3.67 Num_rotatable_bonds: 23
MolWt: 1032.99 Num_heavy_atoms: 72
TPSA: 398.66 NumAromaticRings: 2

Unique Aglycone
AD59331
Formula: C28H34O11

Smiles:
COc1cc(C=CCc2c(C=CCOC(=O)CC(C)(O)CC(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.36
AlogP: 3.56 Num_rotatable_bonds: 14
MolWt: 546.57 Num_heavy_atoms: 39
TPSA: 161.21 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