Compound T128002 | (2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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HIT ID:HIT212525781
Cas No:
常用名:Compound T128002
别名:(2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
别名:(2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:ALCZDVJLQIDTSE-ZHAXMCJUSA-N

分子式:C39H64O15
分子量:772.926
氢键供体数 (HBD):10
氢键受体数 (HBA):15
LogP:-1.08
SMILES:CC(CCC1(O)OC2CC3C4CC=C5CC(CC(O)[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:12|
SMILES:CC(CCC1(O)OC2CC3C4CC=C5CC(CC(O)[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:12|

(2R,3R,4S,5S,6R)-2-{[(7S,9S,13R)-6,14-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol是一种高纯度生化试剂，可用于生物化学实验和药物合成研究。

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