4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (CAS 41093-68-9) — formula C27H30O17, molecular weight 626.5; category organic chemicals.
| CAS Number | 41093-68-9 |
|---|---|
| Molecular Formula | C27H30O17 |
| Molecular Weight | 626.5 |
| LogP | -1.6 |
| Category | Organic Chemicals |
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- is a carbon-based organic compound with CAS registry number 41093-68-9 and molecular formula C27H30O17 (molecular weight 626.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 41093-68-9
Its molecular formula C27H30O17 comprises 27 C, 30 H, 17 O atoms.
Also known as: 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- · 杨梅素-3-芸香糖苷
Category: organic chemicals
The CAS registry number of 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- is 41093-68-9.
Molecular formula C27H30O17, molecular weight 626.5.
It is also registered under: 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, 杨梅素-3-芸香糖苷.
Category: Organic Chemicals.
Independent reference data for 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (CAS 41093-68-9), compiled from public chemistry databases.
| CAS 号 | 41093-68-9 |
|---|---|
| PubChem CID | 21577860 |
| 分子式 | C27H30O17 |
| IUPAC 名称 | 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| UNII（FDA） | QV22PA7Y4X |
| Molecular Weight | 626.5 |
|---|---|
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 6 |
| Exact Mass | 626.14829948 |
| Monoisotopic Mass | 626.14829948 |
| Topological Polar Surface Area | 286 |
| Heavy Atom Count | 44 |
Myricetin-3-O-rutinoside; Myricetin 3-O-rutinoside; 41093-68-9; myricetin-3-rutinoside; QV22PA7Y4X; orb1943034; CHEMBL3918733; Myricetin 3-O-beta-D-rutinoside; HY-N7992; LMPK12112422; DA-55796; CS-0138935; H50607; T81731; 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl] myricetin; Myricetin-3-O-[alpha-L-rhamnopyranosyl-(1-->6)-beta-D-glucopyranoside]
杨梅素-3-芸香糖苷 · CAS 41093-68-9 · C27H30O17. UNII QV22PA7Y4X.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 杨梅素-3-芸香糖苷