Glycoside
...
GD129288

Name:
7-methyl-6-[3-(3-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}benzoyloxy)benzoyloxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C37H44O18

Smiles:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(OC4CC(CO)C(O)C(O)C4O)c3)c2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21

Aglycone:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(OC4CC(CO)C(O)C(O)C4O)c3)c2)CC2C(C(=O)O)=COC(O)C21

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 9 FractionCSP3: 0.54
AlogP: -1.31 Num_rotatable_bonds: 11
MolWt: 776.74 Num_heavy_atoms: 55
TPSA: 288.66 NumAromaticRings: 2

Unique Aglycone
AD52381
Formula: C31H34O13

Smiles:
CC1C(OC(=O)c2cccc(OC(=O)c3cccc(OC4CC(CO)C(O)C(O)C4O)c3)c2)CC2C(C(=O)O)=COC(O)C21
HBA: 13 RingCount: 5
HBD: 6 FractionCSP3: 0.45
AlogP: 0.86 Num_rotatable_bonds: 8
MolWt: 614.6 Num_heavy_atoms: 44
TPSA: 209.51 NumAromaticRings: 2

Sugarmoiety
SD00003

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