Glycoside
GD019360
Name:
2-(2'-O-Trans-Caffeoyl)-C-β-D-Glucopyranosyl-1367-TetrahydroxyxanthoneFormula:
C28H24O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1[C@H](c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 584.49 | Num_heavy_atoms: | 42 |
| TPSA: | 247.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD02582
Formula: C13H8O6
Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
