Artabotryside A
PubChem CID: 44259274
Connections displayed (default: 10).
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| Compound Synonyms | Artabotryside A, Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside, LMPK12112230 |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 977.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.1 |
| Molecular Formula | C26H28O15 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEVCYXAGQGYIRG-BHTHMWHKSA-N |
| Fcsp3 | 0.4230769230769231 |
| Logs | -4.514 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.111 |
| Compound Name | Artabotryside A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.143 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 580.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8908494878048816 |
| Inchi | InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(37-8)41-24-18(33)15(7-27)39-26(24)40-23-19(34)16-13(31)5-10(28)6-14(16)38-22(23)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-21,24-33,35-36H,7H2,1H3/t8?,15-,17-,18?,20?,21-,24-,25-,26-/m0/s1 |
| Smiles | CC1[C@@H](C([C@@H]([C@@H](O1)O[C@@H]2[C@@H](O[C@H](C2O)CO)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artabotrys Hexapetalus (Plant) Rel Props:Source_db:cmaup_ingredients