Name: Qingyangshengenin 3-o-β-d-oleandropyranosyl-(1→4)-β-d-cymaropyranosyl-(1→4)-β-d-digitoxopyranoside
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HIT ID:HIT214316754
Cas No:1186628-88-5
常用名:Qingyangshengenin 3-o-β-d-oleandropyranosyl-(1→4)-β-d-cymaropyranosyl-(1→4)-β-d-digitoxopyranoside
常用名:Qingyangshengenin 3-o-β-d-oleandropyranosyl-(1→4)-β-d-cymaropyranosyl-(1→4)-β-d-digitoxopyranoside
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b-trihydroxy-7-{[(2R,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b-trihydroxy-7-{[(2R,4S,5S,6R)-4-hydroxy-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
InChI key:NMHNNGLQZHGFFA-NEDQOVBWSA-N

分子式:C48H70O17
分子量:919.071
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C(C)=O |t:28|
SMILES:[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C(C)=O |t:28|

Qingyangshengenin 3-o-β-d-oleandropyranosyl-(1→4)-β-d-cymaropyranosyl-(1→4)-β-d-digitoxopyranoside是一种天然产物，可用于生命科学领域的相关研究。其产品编号为 TN5306，CAS号为 1186628-88-5。

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