Glycoside
...
GD135917

Name:
4-[2-(2-{2-[({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]-4-hydroxy-3-methylcyclopentyl}-3-hydroxypropoxy)-2-oxoethyl]-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:
C43H62O24

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COC(=O)CC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COC(=O)CC1C(C(=O)O)=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: 11 FractionCSP3: 0.72
AlogP: -3.55 Num_rotatable_bonds: 19
MolWt: 962.95 Num_heavy_atoms: 67
TPSA: 373.88 NumAromaticRings: 0

Unique Aglycone
AD54945
Formula: C31H42O14

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)COC(=O)CC1C(C(=O)O)=COC(O)C1=CC
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.61
AlogP: 0.8 Num_rotatable_bonds: 13
MolWt: 638.66 Num_heavy_atoms: 45
TPSA: 215.58 NumAromaticRings: 0

Sugarmoiety
SD00019

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