Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxane-3,4,5-triol
Notoginsenoside FP2 · Notoginsenoside FP2,Notoginsenoside FP-2 · β-D-Glucopyranoside, (3β,12β)-20-[(6-O-α-L-arabinofuranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-
![(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxane-3,4,5-triol 분자 구조식](/img/chemical/178674313.png)
식별자 및 물리적 특성
| CAS No. | 1004988-75-3 |
|---|---|
| 분자식 | C58H98O26 |
| 평균 분자량 | 1,211.4 g/mol |
| 단동위원소 질량 | 1,210.63463323 g/mol |
| SMILES | CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
| InChIKey | FPMOROOPDIFSMA-SRAZAKTMSA-N |
| PubChem CID | 138392151 |
화학 및 물리적 성질
| XLogP | -0.6 |
|---|---|
| 극성 표면적 | 416 |
| 수소 결합 공여자 수 | 16 |
| 수소 결합 수용자 수 | 26 |
| 회전 가능 결합 수 | 18 |
| 무거운 원자 수 | 84 |
| 형식 전하 | 0 |
| 복잡도 | 2,210 |
| 밀도 | 1.47±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 12.84±0.70(Predicted) |
| 물리적 상태 | Solid |
| 색상 | White to off-white |
용도
용도
Notoginsenoside FP2, a dammarane-Type Bisdesmoside isolated from the Fruit Pedicels of Panax notoginseng, has potential to treat cardiovascular disease.