Glycoside
GD013413
Name:
7-hydroxy-3-[(2-oxo-2H-chromen-7-yl)oxy]-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,2'H-[8,8'-bichromene]-2,2'-dioneFormula:
C33H24O14Smiles:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(OC6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1Aglycone:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.54 | Num_heavy_atoms: | 47 |
| TPSA: | 219.47 | NumAromaticRings: | 6 |
Unique Aglycone
AD10011
Formula: C27H14O9
Smiles:
O=c1ccc2ccc(Oc3cc4ccc(O)c(-c5c(O)ccc6ccc(=O)oc56)c4oc3=O)cc2o1| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.4 | Num_heavy_atoms: | 36 |
| TPSA: | 140.32 | NumAromaticRings: | 6 |
