Glycoside
...
GD143366

Name:
methyl 4-{3-[(3,4-dihydroxyphenyl)methoxy]-3-oxopropyl}-3-[2-({2-[3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)ethylidene]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C42H54O25

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CCO)C1CCC(=O)OCc1ccc(O)c(O)c1

Aglycone:
COC(=O)C1=COC(O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCO)C1CCC(=O)OCc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 11 FractionCSP3: 0.57
AlogP: -3.61 Num_rotatable_bonds: 18
MolWt: 958.87 Num_heavy_atoms: 67
TPSA: 383.11 NumAromaticRings: 1

Unique Aglycone
AD57669
Formula: C30H34O15

Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCO)C1CCC(=O)OCc1ccc(O)c(O)c1
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.4
AlogP: 0.74 Num_rotatable_bonds: 12
MolWt: 634.59 Num_heavy_atoms: 45
TPSA: 224.81 NumAromaticRings: 1

Sugarmoiety
SD00019

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