Glycoside
...
GD116406

Name:
methyl 6-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-(2-oxoethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylate

Formula:
C26H34O13

Smiles:
COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C(CC=O)C1CC(=O)OCCc1ccc(O)c(O)c1

Aglycone:
COC(=O)C1=CCC(O)C(CC=O)C1CC(=O)OCCc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 6 FractionCSP3: 0.58
AlogP: -0.92 Num_rotatable_bonds: 11
MolWt: 554.55 Num_heavy_atoms: 39
TPSA: 209.51 NumAromaticRings: 1

Unique Aglycone
AD46217
Formula: C20H24O8

Smiles:
COC(=O)C1=CCC(O)C(CC=O)C1CC(=O)OCCc1ccc(O)c(O)c1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 1.26 Num_rotatable_bonds: 8
MolWt: 392.4 Num_heavy_atoms: 28
TPSA: 130.36 NumAromaticRings: 1

Sugarmoiety
SD00003

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