Glycoside
GD135191
Name:
8-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,5-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dioneFormula:
C26H28O14Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(OC3OC(CO)C(OC4OC(CO)C(O)C4O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD48323
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
