2-[(2RS)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-2-yl]prop-2-en-1-yl 6-O-pentopyranosylhexopyranoside
Chemical Structure Depiction of
2-[(2RS)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-2-yl]prop-2-en-1-yl 6-O-pentopyranosylhexopyranoside
2-[(2RS)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-2-yl]prop-2-en-1-yl 6-O-pentopyranosylhexopyranoside
Compound characteristics
| Compound ID: | N039-0028 |
| Compound Name: | 2-[(2RS)-8,9-dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-2-yl]prop-2-en-1-yl 6-O-pentopyranosylhexopyranoside |
| Molecular Weight: | 704.68 |
| Molecular Formula: | C34 H40 O16 |
| Smiles: | [H]C12C(c3ccc4c(C[C@@]([H])(C(=C)COC5C(C(C(C(COC6C(C(C(CO6)O)O)O)O5)O)O)O)O4)c3OC2([H])COc2cc(c(cc12)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0339 |
| logD: | 0.0339 |
| logSw: | -2.2004 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 178.251 |
| InChI Key: | CMQOKNQYLSMKJC-XNHPZVAHSA-N |