Glycoside
...
GD135451

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

Formula:
C45H62O26

Smiles:
COc1cc(C=CCc2c(C=CCOC(=O)CC(C)(OC3OC(CO)C(O)C(O)C3O)C(=O)O)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)C(=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: 0.6
AlogP: -4.06 Num_rotatable_bonds: 22
MolWt: 1018.97 Num_heavy_atoms: 71
TPSA: 398.66 NumAromaticRings: 2

Unique Aglycone
AD54767
Formula: C27H32O11

Smiles:
COc1cc(C=CCc2c(C=CCOC(=O)CC(C)(O)C(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.33
AlogP: 3.17 Num_rotatable_bonds: 13
MolWt: 532.54 Num_heavy_atoms: 38
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