Glycoside
GD034283
Name:
1,1',3,4',6',8'-hexahydroxy-5-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H-[2,2'-bixanthene]-9,9'-dioneFormula:
C33H26O17Smiles:
COc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)cc3oc12Aglycone:
COc1ccc(O)c2c(=O)c3c(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)cc3oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.21 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 694.55 | Num_heavy_atoms: | 50 |
| TPSA: | 290.41 | NumAromaticRings: | 6 |
Unique Aglycone
AD21809
Formula: C27H16O12
Smiles:
COc1ccc(O)c2c(=O)c3c(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)cc3oc12| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.04 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 532.41 | Num_heavy_atoms: | 39 |
| TPSA: | 211.26 | NumAromaticRings: | 6 |
