2-[6-[2-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-3,4,5-trihydroxyphenyl]-2,3,4-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,5,7,8-tetrol
PubChem CID: 101942668
Connections displayed (default: 10).
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| Topological Polar Surface Area | 261.0 |
|---|---|
| Hydrogen Bond Donor Count | 12.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 989.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[6-[2-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-3,4,5-trihydroxyphenyl]-2,3,4-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,5,7,8-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C30H26O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIKBRFADDZWEEO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.332 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.454 |
| Compound Name | 2-[6-[2-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-3,4,5-trihydroxyphenyl]-2,3,4-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,5,7,8-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 610.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 610.132 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 610.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.983785163636366 |
| Inchi | InChI=1S/C30H26O14/c31-10-2-1-9-3-18(36)29(43-20(9)4-10)21-11(5-15(33)23(38)26(21)41)12-6-16(34)24(39)27(42)22(12)30-19(37)7-13-14(32)8-17(35)25(40)28(13)44-30/h1-2,4-6,8,18-19,29-42H,3,7H2 |
| Smiles | C1C(C(OC2=C1C=CC(=C2)O)C3=C(C(=C(C=C3C4=CC(=C(C(=C4C5C(CC6=C(O5)C(=C(C=C6O)O)O)O)O)O)O)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients