2-(Cholestan-3-yloxy)acetamido 2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranoside
기본 정보
- 표준 SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OCC(=O)NO[C@@H]5O[C@H](COC(=O)c6ccccc6)[C@@H](O[C@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](O[C@H]7O[C@H](COC(=O)c8ccccc8)[C@@H](OC(=O)c8ccccc8)[C@H](OC(=O)c8ccccc8)[C@H]7OC(=O)c7ccccc7)[C@H](OC(=O)c7ccccc7)[C@H]6OC(=O)c6ccccc6)[C@H](OC(=O)c6ccccc6)[C@H]5OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
APLOLZFSWMAUAH-UQUWFDILSA-N- 분자식
- C117H121NO28
- 평균 분자량
- 1,989.2 g/mol
이름 및 식별자
- 우선 이름
- 2-(Cholestan-3-yloxy)acetamido 2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranoside
- IUPAC
- [(2R,3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-[[2-[[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]oxyoxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate
이름 및 동의어
APLOLZFSWMAUAH-UQUWFDILSA-N2-(Cholestan-3-yloxy)acetamido 2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranoside
데이터베이스 식별자
- PubChem CID
- 86658295
물성
구조 계산 물성
- XLogP
- 24.6
- 극성 표면적
- 357 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 47
- 무거운 원자 수
- 146
- 형식 전하
- 0
- 복잡도
- 4,200
관련 반응
1건
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