홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate

HCID 178967975
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]4[C@H](O[C@@H]5[C@@H](O[C@@H]6O[C@@H](C)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@H]6O)[C@H](C)O[C@@H](O[C@@H]6[C@@H](O)[C@H]7OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@H]6C)[C@@H]5OC(=O)CCCCCCCCCCC)O[C@@H](C)[C@H](O)[C@H]4O)O[C@H](C)[C@H](O)[C@@H]3O)O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
더보기
새 노트새 반응견적 요청하기
InChIKey
KDCVGYXLCAUWRO-RVUKAOIVSA-N
분자식
C124H216O48
평균 분자량
2,475 g/mol
단동위원소 질량
2,473.44610867

이름 및 식별자

우선 이름
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate
IUPAC
[(2S,3R,4R,5R,6S)-2-[(2S,3S,4R,5R,6S)-3-[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-5-dodecanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-3-dodecanoyloxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoate

물성

구조 계산 물성

XLogP
15.8
극성 표면적
666 Ų
수소 결합 공여자 수
16
수소 결합 수용자 수
48
회전 가능 결합 수
66
무거운 원자 수
172
형식 전하
0
복잡도
4,480

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성관련 반응화합물 노트