Glycoside
GD126888
Name:
4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,2,9,10-tetrahydroanthracene-1,2,9,10-tetroneFormula:
C25H24O14Smiles:
O=c1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3ccccc3c(=O)c=2c1=OAglycone:
O=c1cc(O)c2c(=O)c3ccccc3c(=O)c=2c1=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.45 | Num_heavy_atoms: | 39 |
| TPSA: | 226.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD51363
Formula: C14H6O5
Smiles:
O=c1cc(O)c2c(=O)c3ccccc3c(=O)c=2c1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.2 | Num_heavy_atoms: | 19 |
| TPSA: | 88.51 | NumAromaticRings: | 1 |
