Glycoside
GD141514
Name:
Crocetin; (All-E)-Form, Di-β-D-Glucopyranosyl EsterFormula:
C32H44O14Smiles:
CC(C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 652.69 | Num_heavy_atoms: | 46 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD08706
Formula: C20H24O4
Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 328.41 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
