Glycoside
...
GD131626

Name:
4-[2-O-11Z-Octadecenoyl-Β-Glucopyranosyl]-4,4′-Diapolycopene-4,4′-Dioic Acid

Formula:
C54H78O10

Smiles:
CCCCCCC=CCCCCCCCCCC(=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=CCCCCCCCCCC(=O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.5
AlogP: 11.46 Num_rotatable_bonds: 30
MolWt: 887.21 Num_heavy_atoms: 64
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
AD53312
Formula: C18H34O2

Smiles:
CCCCCCC=CCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 6.11 Num_rotatable_bonds: 15
MolWt: 282.47 Num_heavy_atoms: 20
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00003

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