Glycoside
GD149383
Name:
1,3,5-trihydroxy-6-methoxy-2-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O12Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(O)c(C)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1O)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD59747
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(c1O)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
