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Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
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(2S,3R,4R,5R,6S)-2-[[(2R,3R,4R,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10S,12R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

HCID 178959990
노트반응
기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

표준 SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChIKey
LDIAQNKCRRXZCD-WWQLTKNNSA-N
분자식
C60H102O28
평균 분자량
1,271.4 g/mol
단동위원소 질량
1,270.65576262

이름 및 식별자

우선 이름
(2S,3R,4R,5R,6S)-2-[[(2R,3R,4R,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10S,12R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC
(2S,3R,4R,5R,6S)-2-[[(2R,3R,4R,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10S,12R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

물성

구조 계산 물성

XLogP
-1.3
극성 표면적
456 Ų
수소 결합 공여자 수
18
수소 결합 수용자 수
28
회전 가능 결합 수
19
무거운 원자 수
88
형식 전하
0
복잡도
2,320

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