Glycoside
GD146524
Name:
6-[(3,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)peroxy]-2,3,4,5-tetrahydroxyhexanalFormula:
C21H20O11Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OOCC(O)C(O)C(O)C(O)C=O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 191.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00700
Formula: C15H10O5
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(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 |
