Glycoside
GD132991
Name:
1,1',3,4',5,6',8,8'-octahydroxy-7-(1,3,6,7-tetrahydroxy-9-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-4-yl)-9H,9'H-[2,2'-bixanthene]-9,9'-dioneFormula:
C45H30O24Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 16 | FractionCSP3: | 0.13 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 954.71 | Num_heavy_atoms: | 69 |
| TPSA: | 432.77 | NumAromaticRings: | 9 |
Unique Aglycone
AD53839
Formula: C39H20O19
Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)c(O)c(O)c12| HBA: | 19 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.0 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 792.57 | Num_heavy_atoms: | 58 |
| TPSA: | 353.62 | NumAromaticRings: | 9 |
