Glycoside
...
GD139436

Name:
{6-[(5-{[3,5-bis(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoyloxy]methyl}-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

Formula:
C63H90O29

Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(OC3(CO)OC(COC(=O)c4cc(CC=C(C)C)c(OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)c(CC=C(C)C)c4)C(O)C3O)C(O)C(O)C2O)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1O

Aglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1.COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1(OC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 7
HBD: 16 FractionCSP3: 0.65
AlogP: -2.81 Num_rotatable_bonds: 25
MolWt: 1311.38 Num_heavy_atoms: 92
TPSA: 459.35 NumAromaticRings: 2

Unique Aglycone
AD45207
Formula: C18H24O3

Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.39
AlogP: 4.2 Num_rotatable_bonds: 5
MolWt: 288.39 Num_heavy_atoms: 21
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD08445

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1(OC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O