Glycoside
GD138189
Name:
Astaxanthin DiglucosideFormula:
C52H72O14Smiles:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 16 |
| MolWt: | 921.13 | Num_heavy_atoms: | 66 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46730
Formula: C40H52O4
Smiles:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 8.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.85 | Num_heavy_atoms: | 44 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
