Glycoside
GD138734
Name:
3-cyclohexyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C3CCCCC3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C3CCCCC3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD55972
Formula: C21H20O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C3CCCCC3)cc(O)c1C2=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
