Glycoside
GD117539
Name:
1,1',3',4,6,6',7',8-octahydroxy-2'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(1,4,8-trihydroxy-6-methoxy-9-oxo-9H-xanthen-2-yl)-9H,9'H-[2,4'-bixanthene]-9,9'-dioneFormula:
C46H32O23Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(O)cc(-c7c(O)c(C8OC(CO)C(O)C(O)C8O)c(O)c8c(=O)c9cc(O)c(O)cc9oc78)c(O)c6c(=O)c5c4O)cc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(O)cc(-c7c(O)cc(O)c8c(=O)c9cc(O)c(O)cc9oc78)c(O)c6c(=O)c5c4O)cc(O)c3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 15 | FractionCSP3: | 0.15 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 952.74 | Num_heavy_atoms: | 69 |
| TPSA: | 412.54 | NumAromaticRings: | 9 |
Unique Aglycone
AD46872
Formula: C40H22O18
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(O)cc(-c7c(O)cc(O)c8c(=O)c9cc(O)c(O)cc9oc78)c(O)c6c(=O)c5c4O)cc(O)c3oc2c1| HBA: | 18 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.03 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 790.6 | Num_heavy_atoms: | 58 |
| TPSA: | 322.39 | NumAromaticRings: | 9 |
