기본 정보
- CAS
65604-80-0- 표준 SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
DQYACEDUQHWXQZ-QOYNBSPSSA-N- 분자식
- C44H70O16
- 평균 분자량
- 855 g/mol
- 단동위원소 질량
- 854.46638614
이름 및 식별자
- 우선 이름
- OphiopogoninD'
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 영어명
- OPHIOPOGONIN D
- 분자식
- C44H70O16
- 분자량
- 855.02
이름 및 동의어
OphiopogoninD'HY-N3504AKOS030528269MS-31579CS-0023669orb1297572SCHEMBL29705790QCA60480TN1071EBC-615567DA-76441G60983
이름 더 보기
Ophiopogonin D'Ophiopogonin D''3)]-β-D-glucopyranosideOphiopogonin D'', 10 mM in DMSOSirtuin,inhibit,Ophiopogonin D',Inhibitor(3β,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->(3beta,25R)-spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl...Diosgenin 3-O-[alpha-L-rhamnopyranosyl-(1-2)][beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranoside(3β,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosideβ-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-
(25R)-Spirost-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranoside(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy]-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 236 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,570
물리화학적 성질
- 밀도
- 1.4 · 1.40
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.78 · 12.78±0.70(Predicted)
- 색상
- White to off-white
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