(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C- InChIKey
JDYWIMCSAUNOHC-LIADBCFTSA-N- 분자식
- C47H80O18
- 평균 분자량
- 933.1 g/mol
- 단동위원소 질량
- 932.53446572
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
- IUPAC
- (2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 298 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,680
관련 반응
0건
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