Glycoside
...
GD130659

Name:
4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-[(2,6,11,15-tetramethyl-16-oxo-16-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoyl)oxy]cyclohexane-1-carboxylic acid

Formula:
C48H60O22

Smiles:
CC(C=CC=C(C)C(=O)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 12 FractionCSP3: 0.46
AlogP: -0.47 Num_rotatable_bonds: 18
MolWt: 988.99 Num_heavy_atoms: 70
TPSA: 366.42 NumAromaticRings: 1

Unique Aglycone
AD52944
Formula: C36H40O12

Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.28
AlogP: 4.44 Num_rotatable_bonds: 13
MolWt: 664.7 Num_heavy_atoms: 48
TPSA: 208.12 NumAromaticRings: 1

Sugarmoiety
SD00070

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