Glycoside
...
GD129839

Name:
4-[2-O-9Z-Hexadecenoyl-Β-Glucopyranosyl]-4,4′-Diapolycopene-4,4′-Dioic Acid

Formula:
C52H74O10

Smiles:
CCCCCCC=CCCCCCCCC(=O)OC1C(OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)OC(CO)C(O)C1O

Aglycone:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O.CCCCCCC=CCCCCCCCC(=O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.48
AlogP: 10.68 Num_rotatable_bonds: 28
MolWt: 859.15 Num_heavy_atoms: 62
TPSA: 159.82 NumAromaticRings: 0

Unique Aglycone
AD19592
Formula: C30H36O4

Smiles:
CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.2
AlogP: 7.61 Num_rotatable_bonds: 12
MolWt: 460.61 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0
AD52601
Formula: C16H30O2

Smiles:
CCCCCCC=CCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.81
AlogP: 5.33 Num_rotatable_bonds: 13
MolWt: 254.41 Num_heavy_atoms: 18
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00003

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