Amboside
PubChem CID: 120702
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| Compound Synonyms | Amboside, 507-88-0, Ambosid [German], Sinostroside, Amboside A, Sinostrosid [German], Sinostrosid, Ambosid, Sinogenin-L-diginosid [German], Sarmutogen-beta-D-diginosid [German], Sinogenin-L-diginosid, Sarmutogen-beta-D-diginosid, 3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-11,14-dihydroxy-12-oxocard-20(22)-enolide, DTXSID30964944, 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-lyxo-L-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-19-oxo-, 638-90-4 |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[11,14-dihydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.5 |
| Molecular Formula | C30H44O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYXOVJJXJAVKAX-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.006 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.938 |
| Compound Name | Amboside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.299 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.299 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 548.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.954272600000002 |
| Inchi | InChI=1S/C30H44O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23-26,32-33,35H,5-10,12-14H2,1-4H3 |
| Smiles | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(C(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strophanthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients