Glycoside
GD145076
Name:
5-hydroxy-1-(hydroxymethyl)-2-methoxy-7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C23H24O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD50914
Formula: C17H14O6
Smiles:
COc1cc(O)c2c(c1CO)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
