Glycoside
GD126241
Name:
1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O11Smiles:
COc1cc(OC2OC(O)(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD07716
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
