Glycoside
GD011380
Name:
CROCETIN MONOGENTIBIOSYL ESTERFormula:
C32H44O14Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 13 |
| 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 |
