Glycoside
GD157386
Name:
1,2-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C26H28O14Smiles:
CC1OC(OCC2OC(Oc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD62226
Formula: C14H8O5
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.21 | Num_heavy_atoms: | 19 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
