Glycoside
...
GD130920

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

Formula:
C42H46O20

Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O

Aglycone:
COc1cc(C=CC(=O)O)ccc1O.COc1cc(C=CC(=O)O)ccc1O.COc1cc(C=CC(=O)O)ccc1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 8 FractionCSP3: 0.36
AlogP: 0.54 Num_rotatable_bonds: 16
MolWt: 870.81 Num_heavy_atoms: 62
TPSA: 296.12 NumAromaticRings: 3

Unique Aglycone
AD00175
Formula: C10H10O4

Smiles:
COc1cc(C=CC(=O)O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00070

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