Glycoside
...
GD142285

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

Formula:
C44H64O24

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)CC1C(CO)CO

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(CO)CO

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: -3.47 Num_rotatable_bonds: 19
MolWt: 976.97 Num_heavy_atoms: 68
TPSA: 362.88 NumAromaticRings: 0

Unique Aglycone
AD57267
Formula: C32H44O14

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)CC1C(CO)CO
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.62
AlogP: 0.89 Num_rotatable_bonds: 13
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