(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,4S,4'S,6R,7S,8R,9S,12R,13R,16S)-4',7,9,13-tetramethyl-4'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@H]6C[C@@H]7O[C@]8(C[C@@](C)(CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@H]54)C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
SVAHPODBXGTYNY-VRVDXKBVSA-N- 분자식
- C45H72O18
- 평균 분자량
- 901 g/mol
- 단동위원소 질량
- 900.47186546
개요
SVAHPODBXGTYNY-VRVDXKBVSA-N has been reported in Lilium brownii with data available.
이름 및 식별자
- 우선 이름
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,4S,4'S,6R,7S,8R,9S,12R,13R,16S)-4',7,9,13-tetramethyl-4'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,4S,4'S,6R,7S,8R,9S,12R,13R,16S)-4',7,9,13-tetramethyl-4'-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 276 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,670
관련 반응
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