Glycoside
GD124029
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,6,7,8-tetramethoxy-2-methyl-9,10-dihydroanthracene-9,10-dioneFormula:
C31H38O17Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=OAglycone:
COc1cc2c(c(O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 682.63 | Num_heavy_atoms: | 48 |
| TPSA: | 249.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD48603
Formula: C19H18O7
Smiles:
COc1cc2c(c(O)c1C)C(=O)c1c(cc(OC)c(OC)c1OC)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 91.29 | NumAromaticRings: | 2 |
