Glycoside
GD135368
Name:
1-hydroxy-3-({2-[(naphthalen-2-yl)methyl]cyclohexyl}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C38H40O9Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc4ccccc4c3)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc4ccccc4c3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.73 | Num_heavy_atoms: | 47 |
| TPSA: | 153.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD54737
Formula: C32H30O4
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCCCC3Cc3ccc4ccccc4c3)=CC12| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.59 | Num_heavy_atoms: | 36 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
