Glycoside
GD152683
Name:
5,6-dihydroxy-2-(hydroxymethyl)-1-methoxy-3-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O12Smiles:
COc1c(CO)c(OC2C(CO)OC(O)C(O)C2O)cc2c1C(=O)c1ccc(O)c(O)c1C2=OAglycone:
COc1c(CO)c(O)cc2c1C(=O)c1ccc(O)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD45866
Formula: C16H12O7
Smiles:
COc1c(CO)c(O)cc2c1C(=O)c1ccc(O)c(O)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
