Chartreusin
PubChem CID: 5281394
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| Compound Synonyms | Chartreusin, Lambdamycin, 6377-18-0, Antibiotic X-465A, Chartreusin, dihydrate, NSC 5159, X 465A, UNII-HS0H395E3O, BRN 0075649, HS0H395E3O, CHARTREUSIN [MI], U-7257, CHARTREUSIN, (-)-, CHEBI:3580, DTXSID20930431, 4-19-00-03078 (Beilstein Handbook Reference), 3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-, NSC-5159, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-.alpha.-D-galactopyranosyl)-.beta.-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl- (9CI), 10-[[6-Deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, Antibiotic X 465A, Lambdamycin, NSC 5159, , 3-((2S,3R,4S,5R,6R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo(10.6.2.02,7.09,19.016,20)icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione, SCHEMBL973723, CHEMBL1554674, PONPPNYZKHNPKZ-RYBWXQSLSA-N, DTXCID901359158, AKOS040745662, CCG-208644, NCGC00163668-01, DA-62258, HY-121136, CS-0079527, NS00011744, C09181, G91333, M01618, Q15410881, [(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-hydroxy-methyl-[?]dione, 10-{3-[2-(3,5-Dihydroxy-4-methoxy-6-methyl-tetrahydro-pyran-2-yl)-ethoxy]-4,5-dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy}-6-hydroxy-1-methyl-benzo[h!chromeno[5,4,3-cde!chromene-5,12-dione, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-(9CI) |
|---|---|
| Topological Polar Surface Area | 200.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 46.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | 3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C32H32O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PONPPNYZKHNPKZ-RYBWXQSLSA-N |
| Fcsp3 | 0.4375 |
| Logs | -5.643 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.132 |
| Compound Name | Chartreusin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 640.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 640.179 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 640.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.550221930434785 |
| Inchi | InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28-,31-,32+/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)OC)O)O)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients