Glycoside
GD143018
Name:
4-[(carboxycarbonyl)oxy]-4'-hydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acidFormula:
C44H38O23Smiles:
O=C(O)C(=O)Oc1cc(C(=O)O)cc2c1C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cccc1C2C1c2cc(C(=O)O)cc(O)c2C(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21Aglycone:
O=C(O)C(=O)Oc1cc(C(=O)O)cc2c1C(=O)c1c(O)cccc1C2C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.32 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 934.77 | Num_heavy_atoms: | 67 |
| TPSA: | 391.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD57535
Formula: C32H18O13
Smiles:
O=C(O)C(=O)Oc1cc(C(=O)O)cc2c1C(=O)c1c(O)cccc1C2C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 610.48 | Num_heavy_atoms: | 45 |
| TPSA: | 233.03 | NumAromaticRings: | 4 |
