기본 정보
- CAS
107584-27-0- 표준 SMILES
Cc1cc(=O)c2c(O)c3c(=O)c4c(oc3cc2o1)C=C[N+](C)(C)C4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
JHVKXRVNXKCDAM-IGKNRRDFSA-O- 분자식
- C30H36NO15+
- 평균 분자량
- 650.6 g/mol
- 단동위원소 질량
- 650.20849444
개요
isolated from stem bark of Schumanniophyton magnificum; structure given in first source
이름 및 식별자
- 우선 이름
- Schumanniofoside
- IUPAC
- 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-6,6,15-trimethyl-2,16-dioxa-6-azoniatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3(8),4,11,14,17-hexaene-9,13-dione
- 현지명
- 슈만니오포시드
- 영어명
- schumanniofoside
- 분자식
- C30H36NO15+
- 분자량
- 650.61
이름 및 동의어
Schumanniofoside107584-27-07-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-6,6,15-trimethyl-2,16-dioxa-6-azoniatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3(8),4,11,14,17-hexaene-9,13-dione4H,6H-Pyrano(3',2':6,7)(1)benzopyrano(3,2-c)pyridinium, 7-((2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-7,8-dihydro-5-hydroxy-2,8,8-trimethyl-4,6-dioxo-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-11-hydroxy-6,6,15-trimethyl-2,16-dioxa-6-azoniatetracyclo(8.8.0.03,8.012,17)octadeca-1(10),3(8),4,11,14,17-hexaene-9,13-dioneRefChem:181866orb1985324DTXSID70910369AKOS0407539804H,6H-Pyrano(3',2':6,7)(1)benzopyrano(3,2-c)pyridinium, 7,8-dihydro-7-((2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-4,6-dioxo-5-hydroxy-2,8,8-trimethyl-4-Hydroxy-2,8,8-trimethyl-5,6-dioxo-7,8-dihydro-5H,6H-pyrano[3',2':6,7][1]benzopyrano[3,2-c]pyridin-8-ium-7-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -1.5
- 극성 표면적
- 231 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 46
- 형식 전하
- 1
- 복잡도
- 1,310
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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