Salvianolic acid D
PubChem CID: 75412558
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| Compound Synonyms | Salvianolic acid D, 142998-47-8, UNII-28R85321EY, 28R85321EY, (R,E)-2-((3-(2-(carboxymethyl)-3,4-dihydroxyphenyl)acryloyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid, (2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid, Benzenepropanoic acid, alpha-(((2E)-3-(2-(carboxymethyl)-3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,4-dihydroxy-, (alphaR)-, BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-(CARBOXYMETHYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-, SalvianolicacidD, Salvianolate D, Salvianolic-acid-D, (2R)-2-((E)-3-(2-(carboxymethyl)-3,4-dihydroxyphenyl)prop-2-enoyl)oxy-3-(3,4-dihydroxyphenyl)propanoic acid, Salvianolic acid D (Standard), SCHEMBL21325112, HY-N0320R, CHEBI:177612, KFCMFABBVSIHTB-WUTVXBCWSA-N, DTXSID801341786, HY-N0320, AKOS030573696, FS73885, DA-67389, MS-27304, CS-0008887, G14217, Q27254341, Salvianolic Acid D, Benzenepropanoic acid, a-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (aR)-, Benzenepropanoic acid, a-[[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (aR)- (9CI), Benzenep |
|---|---|
| Topological Polar Surface Area | 182.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 647.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-[(E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFCMFABBVSIHTB-WUTVXBCWSA-N |
| Fcsp3 | 0.15 |
| Logs | -2.88 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.42 |
| Compound Name | Salvianolic acid D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 418.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2761956000000008 |
| Inchi | InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)/b6-3+/t16-/m1/s1 |
| Smiles | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)CC(=O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients