Glycoside
...
GD123871

Name:
methyl 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]-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:
C42H54O24

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)cc1

Aglycone:
COC(=O)C1=COC(O)C(=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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 10 FractionCSP3: 0.57
AlogP: -3.31 Num_rotatable_bonds: 18
MolWt: 942.87 Num_heavy_atoms: 66
TPSA: 362.88 NumAromaticRings: 1

Unique Aglycone
AD50016
Formula: C30H34O14

Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)CC2C(C(=O)OC)=COC(O)C2=CCO)C1CCC(=O)OCc1ccc(O)cc1
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 12
MolWt: 618.59 Num_heavy_atoms: 44
TPSA: 204.58 NumAromaticRings: 1

Sugarmoiety
SD00019

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