Name: Galloylpaeoniflorin
Rating: 5 (10 reviews)

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HIT ID:HIT212665034
Cas No:122965-41-7
常用名:Galloylpaeoniflorin
别名:没食子酰芍药苷, 6'-O-Galloyl paeoniflorin
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 3,4,5-trihydroxybenzoate
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 3,4,5-trihydroxybenzoate
InChI key:KLFIUQCKSSAFFU-QHOIGUMUSA-N

分子式:C30H32O15
分子量:632.571
氢键供体数 (HBD):7
氢键受体数 (HBA):13
LogP:1.198054
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)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O |TLB:4:3:7:8.21,THB:19:3:7:8.21|
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)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O |TLB:4:3:7:8.21,THB:19:3:7:8.21|

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