Glycoside
GD116548
Name:
1,5,6-trihydroxy-2-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C26H28O16Smiles:
O=C1c2cc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c(CO)c(O)c2C(=O)c2ccc(O)c(O)c21Aglycone:
O=C1c2cc(O)c(CO)c(O)c2C(=O)c2ccc(O)c(O)c21Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 596.49 | Num_heavy_atoms: | 42 |
| TPSA: | 273.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD46298
Formula: C15H10O7
Smiles:
O=C1c2cc(O)c(CO)c(O)c2C(=O)c2ccc(O)c(O)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
