Glycoside
GD115466
Name:
Crocetin; (All-E)-Form, β-D-Glucopyranosyl Me DiesterFormula:
C27H36O9Smiles:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.58 | Num_heavy_atoms: | 36 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD45683
Formula: C21H26O4
Smiles:
COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.44 | Num_heavy_atoms: | 25 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
