Glycoside
GD156821
Name:
5'-hydroxy-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3',4',5'a,6',11',11'a-hexahydro-1'H-spiro[cyclohexane-1,2'-tetracene]-6',11'-dioneFormula:
C29H34O9Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=C3CCC4(CCCCC4)CC3=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=C3CCC4(CCCCC4)CC3=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 526.58 | Num_heavy_atoms: | 38 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD62053
Formula: C23H24O4
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=C3CCC4(CCCCC4)CC3=CC12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 364.44 | Num_heavy_atoms: | 27 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
