Glycoside
...
GD118659

Name:
2-[3-hydroxy-2,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-2-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]acetic acid

Formula:
C31H44O14

Smiles:
COC(=O)CC(C)(O)CC(=O)OC(C(=O)O)c1cc(CC=C(C)C)c(OC2OC(CO)C(O)C(O)C2O)c(O)c1CC=C(C)C

Aglycone:
COC(=O)CC(C)(O)CC(=O)OC(C(=O)O)c1cc(CC=C(C)C)c(O)c(O)c1CC=C(C)C

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: 0.96 Num_rotatable_bonds: 14
MolWt: 640.68 Num_heavy_atoms: 45
TPSA: 229.74 NumAromaticRings: 1

Unique Aglycone
AD47470
Formula: C25H34O9

Smiles:
COC(=O)CC(C)(O)CC(=O)OC(C(=O)O)c1cc(CC=C(C)C)c(O)c(O)c1CC=C(C)C
HBA: 9 RingCount: 1
HBD: 4 FractionCSP3: 0.48
AlogP: 3.49 Num_rotatable_bonds: 11
MolWt: 478.54 Num_heavy_atoms: 34
TPSA: 150.59 NumAromaticRings: 1

Sugarmoiety
SD00003

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