Glycoside
...
GD126446

Name:
6-{[(4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula:
C45H52O23

Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O

Aglycone:
COc1cc(C=CC(=O)O)cc(OC)c1O.COc1cc(C=CC(=O)O)cc(OC)c1O.COc1cc(C=CC(=O)O)cc(OC)c1O

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 8 FractionCSP3: 0.4
AlogP: 0.56 Num_rotatable_bonds: 19
MolWt: 960.89 Num_heavy_atoms: 68
TPSA: 323.81 NumAromaticRings: 3

Unique Aglycone
AD03983
Formula: C11H12O5

Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.18
AlogP: 1.51 Num_rotatable_bonds: 4
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 75.99 NumAromaticRings: 1

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O