풀보토멘토사이드A
Fulvotomentoside A
기본 정보
- CAS
122739-11-1- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)C3(C)CO)OC[C@H](O)[C@@H]2O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
UODCQSBZHQZMEW-CCPLUEPASA-N- 분자식
- C58H94O26
- 평균 분자량
- 1,207.3 g/mol
- 단동위원소 질량
- 1,206.6033331
개요
isolated from Lonicera fulvotomentosa; structure given in first source
이름 및 식별자
- 우선 이름
- Fulvotomentoside A
- IUPAC
- [(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,10S,12aR,14bR)-9-(hydroxymethyl)-10-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 현지명
- 풀보토멘토사이드A
- 영어명
- fulvotomentoside A
- 분자식
- C58H94O26
- 분자량
- 1207.35136
이름 및 동의어
122739-11-13-O-beta-D-xylopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosyl-hederagenin-28-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosideOlean-12-en-28-oic acid, 23-hydroxy-3-((O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta,4alpha)-RefChem:141642Fulvotomentoside Aorb1219013TN6393AKOS0407634353-O-beta-D-Xylopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabinopyranosylhederagenin-28-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosideDA-53428TS-10151Olean-12-en-28-oic acid, 23-hydroxy-3- ((O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta,4alpha)-
이름 더 보기
풀보토멘토사이드Afulvotomentoside A, 10 mM in DMSO
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 413 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,330
관련 반응
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