Glycoside
...
GD119651

Name:
methyl 3-ethylidene-4-(2-{[8-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-2,6-dimethylocta-2,6-dien-1-yl]oxy}-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C44H62O22

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC=C(C)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC

Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC=C(C)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC

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

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 8 FractionCSP3: 0.64
AlogP: -0.89 Num_rotatable_bonds: 19
MolWt: 942.96 Num_heavy_atoms: 66
TPSA: 322.42 NumAromaticRings: 0

Unique Aglycone
AD47974
Formula: C32H42O12

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC=C(C)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 3.46 Num_rotatable_bonds: 13
MolWt: 618.68 Num_heavy_atoms: 44
TPSA: 164.12 NumAromaticRings: 0

Sugarmoiety
SD00019

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