(3R,4R,5S,6S)-6-[(3S,8R,9R,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol
기본 정보
- 표준 SMILES
C[C@H]([C@H](O)[C@@H](O)[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C- InChIKey
MOWDSRSBTXORLO-XUHCVYMYSA-N- 분자식
- C47H80O19
- 평균 분자량
- 949.1 g/mol
- 단동위원소 질량
- 948.52938034
개요
MOWDSRSBTXORLO-XUHCVYMYSA-N has been reported in Momordica charantia with data available.
이름 및 식별자
- 우선 이름
- (3R,4R,5S,6S)-6-[(3S,8R,9R,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol
- IUPAC
- (3R,4R,5S,6S)-6-[(3S,8R,9R,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol
데이터베이스 식별자
- Nikkaji
- J3.577.047J
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 318 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,700
관련 반응
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