Glycoside
GD035765
Name:
1,4',5',8-tetrahydroxy-2',6-bis(hydroxymethyl)-9'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10,10'-trioneFormula:
C36H30O14Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc([C@@]1([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c2OAglycone:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.25 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 686.62 | Num_heavy_atoms: | 50 |
| TPSA: | 262.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD08883
Formula: C30H20O9
Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c2O| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.1 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 524.48 | Num_heavy_atoms: | 39 |
| TPSA: | 172.59 | NumAromaticRings: | 4 |
