(3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
기본 정보
- CAS
160260-25-3- 표준 SMILES
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O- InChIKey
LBLYBYTZXWQUGX-UHFFFAOYSA-N- 분자식
- C62H104O33
- 평균 분자량
- 1,377.5 g/mol
- 단동위원소 질량
- 1,376.6459858
개요
(3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside has been reported in Capsicum annuum with data available.
이름 및 식별자
- 우선 이름
- (3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
- IUPAC
- 2-[4-[16-[5-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
160260-25-3(3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-xylopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside(3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosideRefChem:207939DTXSID901098502(3I(2),5I+/-,25R)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-xylopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
데이터베이스 식별자
- CAS
160260-25-3- PubChem CID
- 131752964
- DTXSID
DTXSID901098502
물성
구조 계산 물성
- XLogP
- -5.1
- 극성 표면적
- 525 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 33
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 95
- 형식 전하
- 0
- 복잡도
- 2,470
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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