Glycoside
...
GD152238

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

Formula:
C40H56O26

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC1OC(CO)C(O)C(O)C1OC(=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)O.CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O

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

Other Identifiers

Properties
HBA: 26 RingCount: 5
HBD: 11 FractionCSP3: 0.7
AlogP: -5.75 Num_rotatable_bonds: 15
MolWt: 952.86 Num_heavy_atoms: 66
TPSA: 392.34 NumAromaticRings: 0

Unique Aglycone
AD03515
Formula: C11H14O6

Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 0.43 Num_rotatable_bonds: 3
MolWt: 242.23 Num_heavy_atoms: 17
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00130

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