Glycoside
GD117266
Name:
Astaxanthin DirhamnosideFormula:
C52H72O12Smiles:
CC(C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(C)C(O)C(O)C2O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(OC2OC(C)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:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 889.14 | Num_heavy_atoms: | 64 |
| TPSA: | 192.44 | 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 |
