Glycoside
GD121738
Name:
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C36H38O18Smiles:
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c2C3=O)c(O)c1C(C)=OAglycone:
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.68 | Num_heavy_atoms: | 54 |
| TPSA: | 299.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD14314
Formula: C24H18O8
Smiles:
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 32 |
| TPSA: | 141.36 | NumAromaticRings: | 3 |
