Glycoside
GD118277
Name:
2-acetyl-1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C23H22O11Smiles:
CC(=O)c1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc1C2=OAglycone:
CC(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 191.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD47278
Formula: C17H12O6
Smiles:
CC(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
