Glycoside
...
GD120061

Name:
methyl 3-ethylidene-4-[2-({5-[1-({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)-3-hydroxypropan-2-yl]-3-hydroxy-2-methylcyclopentyl}methoxy)-2-oxoethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C44H64O24

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1CC(O)C(C)C1COC(=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(CO)C1CC(O)C(C)C1COC(=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: 24 RingCount: 5
HBD: 10 FractionCSP3: 0.73
AlogP: -3.32 Num_rotatable_bonds: 18
MolWt: 976.97 Num_heavy_atoms: 68
TPSA: 362.88 NumAromaticRings: 0

Unique Aglycone
AD48185
Formula: C32H44O14

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1CC(O)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.62
AlogP: 1.03 Num_rotatable_bonds: 12
MolWt: 652.69 Num_heavy_atoms: 46
TPSA: 204.58 NumAromaticRings: 0

Sugarmoiety
SD00019

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