Glycoside
...
GD121422

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

Formula:
C59H76O35

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=CCOC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CCO)C1CCC(=O)OCc1ccc(O)cc1

Aglycone:
COC(=O)C1=COC(O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCO)C1CCC(=O)OCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 35 RingCount: 7
HBD: 14 FractionCSP3: 0.59
AlogP: -5.61 Num_rotatable_bonds: 26
MolWt: 1345.22 Num_heavy_atoms: 94
TPSA: 524.09 NumAromaticRings: 1

Unique Aglycone
AD48875
Formula: C41H46O20

Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCO)C1CCC(=O)OCc1ccc(O)cc1
HBA: 20 RingCount: 4
HBD: 5 FractionCSP3: 0.41
AlogP: 0.92 Num_rotatable_bonds: 17
MolWt: 858.8 Num_heavy_atoms: 61
TPSA: 286.64 NumAromaticRings: 1

Sugarmoiety
SD00130

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