Rubrofusarin-6-glucoside
PubChem CID: 3035617
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| Compound Synonyms | Rubrofusarin-6-glucoside, 132922-80-6, 5-hydroxy-8-methoxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one, Rubrofusarin 6-O-, A-D-glucopyranoside, RUBROFUSARIN-6-O-BETA-D-GLUCOPYRANOSIDE, CHEMBL3634698, DTXSID10157857, HY-N10378, 6-(beta-D-Glucopyranosyloxy)-5-hydroxy-8-methoxy-2-methyl-4H-naphtho(2,3-b)pyran-4-one, DA-67321, E89052, 4H-Naphtho(2,3-b)pyran-4-one, 6-(beta-D-glucopyranosyloxy)-5-hydroxy-8-methoxy-2-methyl- |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P34913 |
| Iupac Name | 5-hydroxy-8-methoxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C21H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDMUGCVTTUOCFT-IAAKTDFRSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -3.671 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.621 |
| Compound Name | Rubrofusarin-6-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8491549483870973 |
| Inchi | InChI=1S/C21H22O10/c1-8-3-11(23)16-12(29-8)5-9-4-10(28-2)6-13(15(9)18(16)25)30-21-20(27)19(26)17(24)14(7-22)31-21/h3-6,14,17,19-22,24-27H,7H2,1-2H3/t14-,17-,19+,20-,21-/m1/s1 |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Tora (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Wikstroemia Monticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:npass_chem_all