Glycoside
GD136905
Name:
Thermobiszeaxanthin-13-15Formula:
C80H128O14Smiles:
CC(C=CC=C(C)C=CC1=C(C)CC(OC2OC(COC(=O)CCCCCCCCCCCC(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)CAglycone:
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)CCCCCCCCCC(C)C.COC(=O)CCCCCCCCCCCC(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 16.41 | Num_rotatable_bonds: | 40 |
| MolWt: | 1313.89 | Num_heavy_atoms: | 94 |
| TPSA: | 210.9 | 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 |
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 |
