Glycoside
GD131694
Name:
aurantinin cFormula:
C44H62O12Smiles:
CC(=CC=CC=CC1C(C)=CC2C(CCC(C)C2OC2OC(C)C(O)C(O)C2O)C2C(=O)OC(=O)C(C)=C3CC(O)C(C)C3=C12)CC(C)CC(O)C(C)C(=O)OAglycone:
CC(=CC=CC=CC1C(C)=CC2C(O)C(C)CCC2C2C(=O)OC(=O)C(C)=C3CC(O)C(C)C3=C12)CC(C)CC(O)C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 782.97 | Num_heavy_atoms: | 56 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD53339
Formula: C38H52O8
Smiles:
CC(=CC=CC=CC1C(C)=CC2C(O)C(C)CCC2C2C(=O)OC(=O)C(C)=C3CC(O)C(C)C3=C12)CC(C)CC(O)C(C)C(=O)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.83 | Num_heavy_atoms: | 46 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
