Glycoside
GD155231
Name:
4,4',5-trihydroxy-10,10'-dioxo-5'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylic acidFormula:
C36H28O15Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(O)c1C2=OAglycone:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 700.61 | Num_heavy_atoms: | 51 |
| TPSA: | 268.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD02822
Formula: C30H18O10
Smiles:
O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 538.46 | Num_heavy_atoms: | 40 |
| TPSA: | 189.66 | NumAromaticRings: | 4 |
