Glycoside
GD122513
Name:
2,3,4,5-tetrahydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)peroxy]hexanalFormula:
C21H20O10Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(OOCC(O)C(O)C(O)C(O)C=O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 170.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD07732
Formula: C15H10O4
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
