Baohuoside I

CAS	113558-15-9
Structure
Synonyms	5,7-Dihydroxy-4'-methoxy-8-prenyl-3-(α-L-rhamnopyranosyloxy)flavone
IUPAC Name	5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Weight	514.53
Molecular Formula	C27H30O10
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O)O
InChI	InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
InChI Key	NGMYNFJANBHLKA-LVKFHIPRSA-N
Boiling Point	759.4±60.0 °C
Melting Point	202-203 °C
Purity	98%
Density	1.46 g/ml
pKa	6.29±0.40
Appearance	Powder