Glycoside
GD120647
Name:
5-[(6-{[(carboxycarbonyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidFormula:
C23H18O14Smiles:
O=C(O)C(=O)OCC1OC(Oc2cccc3c2C(=O)c2c(O)cc(C(=O)O)cc2C3=O)C(O)C(O)C1OAglycone:
COC(=O)C(=O)O.O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.38 | Num_heavy_atoms: | 37 |
| TPSA: | 234.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD40245
Formula: C15H8O6
Smiles:
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
AD48494
Formula: C3H4O4
Smiles:
COC(=O)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 104.06 | Num_heavy_atoms: | 7 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
