Glycoside
...
GD153717

Name:
Thermobiszeaxanthin Z2-13-13

Formula:
C79H126O13

Smiles:
CC(C=CC=C(C)C=CC1=C(C)CC(OC2CC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2OC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C

Aglycone:
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2CC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C.COC(=O)CCCCCCCCCC(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.7
AlogP: 16.29 Num_rotatable_bonds: 38
MolWt: 1283.86 Num_heavy_atoms: 92
TPSA: 201.67 NumAromaticRings: 0

Unique Aglycone
AD46765
Formula: C14H28O2

Smiles:
COC(=O)CCCCCCCCCC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.93
AlogP: 4.33 Num_rotatable_bonds: 10
MolWt: 228.38 Num_heavy_atoms: 16
TPSA: 26.3 NumAromaticRings: 0
AD61104
Formula: C60H92O7

Smiles:
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2CC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.62
AlogP: 13.75 Num_rotatable_bonds: 24
MolWt: 925.39 Num_heavy_atoms: 67
TPSA: 116.45 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O