Glycoside
GD008661
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 8-hydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylateFormula:
C23H22O11Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(C(=O)OC[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)cc1C2=OAglycone:
COC(=O)c1cc2c(cc1C)C(=O)c1cc(OC)cc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.42 | Num_heavy_atoms: | 34 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD06889
Formula: C18H14O6
Smiles:
COC(=O)c1cc2c(cc1C)C(=O)c1cc(OC)cc(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.3 | Num_heavy_atoms: | 24 |
| TPSA: | 89.9 | NumAromaticRings: | 2 |
