Glycoside
GD140352
Name:
5-hydroxy-1,2-dimethoxy-6-methyl-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C28H32O15Smiles:
COc1c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1OC)C(=O)c1ccc(C)c(O)c1C2=OAglycone:
COc1c(O)cc2c(c1OC)C(=O)c1ccc(C)c(O)c1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 231.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD56595
Formula: C17H14O6
Smiles:
COc1c(O)cc2c(c1OC)C(=O)c1ccc(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
