Glycoside
...
GD124535

Name:
Thermozeaxanthin-15

Formula:
C61H94O8

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(OC2OC(COC(=O)CCCCCCCCCCCC(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(O)CC1(C)C.COC(=O)CCCCCCCCCCCC(C)C

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.62
AlogP: 13.87 Num_rotatable_bonds: 26
MolWt: 955.41 Num_heavy_atoms: 69
TPSA: 125.68 NumAromaticRings: 0

Unique Aglycone
AD24679
Formula: C16H32O2

Smiles:
COC(=O)CCCCCCCCCCCC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.11 Num_rotatable_bonds: 12
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 26.3 NumAromaticRings: 0
AD46252
Formula: C40H56O2

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(O)CC1(C)C
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 10.55 Num_rotatable_bonds: 10
MolWt: 568.89 Num_heavy_atoms: 42
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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