Glycoside
GD132603
Name:
3-(cyclohexylmethyl)-1-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C27H32O9Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(CC3CCCCC3)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.54 | Num_heavy_atoms: | 36 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD53123
Formula: C21H22O4
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3)=CC12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.4 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
