Viscumneoside V
기본 정보
- CAS
119016-92-1- 표준 SMILES
COc1cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)cc3O2)ccc1O- InChIKey
HUBUCUOTSSVULF-UZTVYBTHSA-N- 분자식
- C32H40O19
- 평균 분자량
- 728.6 g/mol
- 단동위원소 질량
- 728.21637904
개요
Viscumneoside V is a viscumneoside that is viscumneoside III in which the primary hydroxy group of the beta-D-apiofuranosyl moiety has itself been converted to the corresponding beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. It has a role as a plant metabolite. It is a viscumneoside, a beta-D-glucoside and a flavanone glycoside. It is functionally related to a viscumneoside III, a beta-D-apiose and a homoeriodictyol.
이름 및 식별자
- 우선 이름
- Viscumneoside V
- IUPAC
- (2S)-7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-4-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
이름 및 동의어
Viscumneoside V119016-92-1CHEBI:132859RefChem:194507(2S)-7-((2S,3R,4S,5S,6R)-3-((2S,3R,4R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-3,4-dihydroxyoxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one(2S)-7-(3-(4-((3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-3,4-dihydroxyoxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-oneHomoeriodictyol-7-apiosyl(1-5)-apiosyl(1-2)-glucopyranoside(S)-7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-4-((((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-oneorb2893520CHEMBL2332108LMPK12140437TN8506
이름 더 보기
homoeriodictyol-7-beta-D-apiosyl(1->5)-beta-D-apiosyl(1->2)-beta-D-glucopyranoside(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2S,3R,4R)-4-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 293 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,180
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
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