Name: Mudanpioside C
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212653980
Cas No:172760-03-1
常用名:Mudanpioside C
别名:牡丹皮苷C
IUPAC:[(2R,3S,4S,5R,6S)-6-{[(1R,2S,3R,5R,6R,8S)-2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
IUPAC:[(2R,3S,4S,5R,6S)-6-{[(1R,2S,3R,5R,6R,8S)-2-[(benzoyloxy)methyl]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0^{2,5}.0^{3,8}]decan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
InChI key:HMSMTLNPCAHHGP-HRCYFWENSA-N

分子式:C30H32O13
分子量:600.573
氢键供体数 (HBD):5
氢键受体数 (HBA):11
LogP:1.8051846
SMILES:C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O |TLB:0:1:19.8:5,THB:21:1:19.8:5|
SMILES:C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O |TLB:0:1:19.8:5,THB:21:1:19.8:5|

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