Glycoside
...
GD130429

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

Formula:
C64H92O28

Smiles:
CC(C)=CCc1cc(C(=O)OC2OC(CO)C(O)C(O)C2OC(=O)c2cc(CC=C(C)C)c(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)c(CC=C(C)C)c2)cc(CC=C(C)C)c1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O.CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 15 FractionCSP3: 0.66
AlogP: -1.4 Num_rotatable_bonds: 23
MolWt: 1309.41 Num_heavy_atoms: 92
TPSA: 439.12 NumAromaticRings: 2

Unique Aglycone
AD46118
Formula: C17H22O3

Smiles:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.35
AlogP: 4.11 Num_rotatable_bonds: 5
MolWt: 274.36 Num_heavy_atoms: 20
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD07227

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O