기본 정보
- CAS
336622-97-0- 표준 SMILES
CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC- InChIKey
QZNIVVAKPLIDJX-BFCDFHHJSA-N- 분자식
- C48H93NO10
- 평균 분자량
- 844.3 g/mol
- 단동위원소 질량
- 843.67994816
개요
Phytolacca cerebroside has been reported in Euphorbia peplus, Dysoxylum lenticellatum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Phytolacca cerebroside
- IUPAC
- (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide
이름 및 동의어
Phytolacca cerebroside3M9T3AX86F336622-97-0Glucosyl ceramide, phytolacca cerebroside-(2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxy-7-heptadecen-1-yl)-2-hydroxytetracosanamide ((2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxyheptadec-7-en-1-yl)-2-hydroxytetracosanamide1-o-beta-Glucopyranosyl-(2S,3S,4R,8Z)-2-N-((2'R)-hydroxytetracosanoyl)-4-hydroxy-8-sphingenineTetracosanamide, N-((1S,2S,3R,7Z)-1-((beta-D-glucopyranosyloxy)methyl)-2,3-dihydroxy-7-heptadecen-1-yl)-2-hydroxy-, (2R)-RefChem:44547Dracontioside BUNII-3M9T3AX86Forb3141651
이름 더 보기
CHEMBL2268777N-(2R-hydroxytetracosanoyl)-1-beta-glucosyl-4R-hydroxy-8Z-octadecasphingenineLMSP05010041TN11244(2R)-N-((1S,2S,3R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2,3-DIHYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXYTETRACOSANAMIDE ((2R)-N-((1S,2S,3R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2,3-DIHYDROXYHEPTADEC-7-EN-1-YL)-2-HYDROXYTETRACOSANAMIDE1-O-.BETA.-GLUCOPYRANOSYL-(2S,3S,4R,8Z)-2-N-((2'R)-HYDROXYTETRACOSANOYL)-4-HYDROXY-8-SPHINGENINEGlcCer(t18:1(8Z)/24:0(2OH[R])); 1-O-glucopyranosyl-2-N-2'-hydroxytetracosanoyl-8-sphingenine
물성
구조 계산 물성
- XLogP
- 13.3
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 41
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 972
실험 및 물리화학적 성질
LipidsLipids -> Sphingolipids [SP] -> Neutral glycosphingolipids [SP05] -> Simple Glc series [SP0501]
관련 반응
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