Glycoside
GD008540
Name:
1,1',3,3',6,6',7,7'-octahydroxy-2,2'-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H-[4,4'-bixanthene]-9,9'-dioneFormula:
C38H34O22Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3c(O)c([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)c4c(=O)c5cc(O)c(O)cc5oc34)c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c12Aglycone:
O=c1c2cc(O)c(O)cc2oc2c(-c3c(O)cc(O)c4c(=O)c5cc(O)c(O)cc5oc34)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 16 | FractionCSP3: | 0.32 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 842.67 | Num_heavy_atoms: | 60 |
| TPSA: | 402.56 | NumAromaticRings: | 6 |
Unique Aglycone
AD06812
Formula: C26H14O12
Smiles:
O=c1c2cc(O)c(O)cc2oc2c(-c3c(O)cc(O)c4c(=O)c5cc(O)c(O)cc5oc34)c(O)cc(O)c12| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 518.39 | Num_heavy_atoms: | 38 |
| TPSA: | 222.26 | NumAromaticRings: | 6 |
