Glycoside
GD145118
Name:
(3S, 3'R)-Adonixanthin-Î’-D-GlucosideFormula:
C46H64O7Smiles:
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)C(=O)C(C2OC(CO)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)C(=O)CCC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 7.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 729.01 | Num_heavy_atoms: | 53 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58267
Formula: C40H54O2
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)C(=O)CCC1(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 10.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.87 | Num_heavy_atoms: | 42 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
