Glycoside
...
GD130212

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

Formula:
C43H62O24

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)OC(=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)OCC1C(C)C(O)CC1C(CO)OC(=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: 0.72
AlogP: -3.57 Num_rotatable_bonds: 17
MolWt: 962.95 Num_heavy_atoms: 67
TPSA: 362.88 NumAromaticRings: 0

Unique Aglycone
AD52764
Formula: C31H42O14

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC1C(C)C(O)CC1C(CO)OC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.61
AlogP: 0.78 Num_rotatable_bonds: 11
MolWt: 638.66 Num_heavy_atoms: 45
TPSA: 204.58 NumAromaticRings: 0

Sugarmoiety
SD00019

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