Glycoside
GD146624
Name:
1-methoxy-2-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dioneFormula:
C28H32O14Smiles:
COc1c(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc2c1C(=O)c1ccccc1C2=OAglycone:
COc1c(CO)ccc2c1C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD58773
Formula: C16H12O4
Smiles:
COc1c(CO)ccc2c1C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
