기본 정보
- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC- InChIKey
LLMDGXDLAJFXGG-QPLCGJKRSA-N- 분자식
- C65H120O16
- 평균 분자량
- 1,157.6 g/mol
- 단동위원소 질량
- 1,156.85763776
개요
3-((6-(((3,5-dihydroxy-6-(hydroxymethyl)-4-(palmitoyloxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(palmitoyloxy)propyl oleate is a glycosylglycerol derivative.
이름 및 식별자
- 우선 이름
- 3-((6-(((3,5-dihydroxy-6-(hydroxymethyl)-4-(palmitoyloxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(palmitoyloxy)propyl oleate
- IUPAC
- [2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] (Z)-octadec-9-enoate
이름 및 동의어
3-((6-(((3,5-dihydroxy-6-(hydroxymethyl)-4-(palmitoyloxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(palmitoyloxy)propyl oleate[2-hexadecanoyloxy-3-[6-[[4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropyl] (Z)-octadec-9-enoate(2-hexadecanoyloxy-3-(6-((4-hexadecanoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl)oxypropyl) (Z)-octadec-9-enoate2-(Hexadecanoyloxy)-3-((6-(((4-(hexadecanoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)-3,4,5-trihydroxyoxan-2-yl)oxy)propyl (9Z)-octadec-9-enoic acid2-(Hexadecanoyloxy)-3-{[6-({[4-(hexadecanoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}propyl (9Z)-octadec-9-enoic acidRefChem:920103-((6-(((3,5-Dihydroxy-6-(hydroxymethyl)-4-(palmitoyloxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(palmitoyloxy)propyl oleic acidCHEBI:210446
데이터베이스 식별자
- ChEBI
CHEBI:210446
물성
구조 계산 물성
- XLogP
- 18.4
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 57
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 1,520
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