Glycoside
GD138297
Name:
1-hydroxy-3-({2-[(4-hydroxyphenyl)methyl]cyclohexyl}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C34H38O10Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc(O)cc3)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc(O)cc3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.67 | Num_heavy_atoms: | 44 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD55838
Formula: C28H28O5
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc(O)cc3)=CC12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.53 | Num_heavy_atoms: | 33 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
