b-D-Galactopyranoside, (3b,4a,16b)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-b-D-glucopyranosyl-(1®

pro_cas
152580-79-5
pro_cdbregno
CCD00997035
pro_formula
C48 H78 O18
pro_molWeight
943.126

basic_info

Product_Name: b-D-Galactopyranoside, (3b,4a,16b)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-b-D-glucopyranosyl-(1®
CAS: 152580-79-5
中文同义词: b-D-Galactopyranoside, (3b,4a,16b)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl O-b-D-glucopyranosyl-(1®
EnglishSynonyms: BUDDLEJASAPONIN IVB
pro_mdlNumber: MFCD11041270
pro_acceptors: 18
pro_donors: 12
pro_smile: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@H](C[C@]54C)O)CO)(C)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
InChi: InChI=1S/C48H78O18/c1-22-31(54)38(65-42-39(35(58)33(56)26(19-50)63-42)66-40-36(59)34(57)32(55)25(18-49)62-40)37(60)41(61-22)64-30-11-12-44(4)27(45(30,5)20-51)10-13-46(6)28(44)9-8-23-24-16-43(2,3)14-15-48(24,21-52)29(53)17-47(23,46)7/h8-9,22,25-42,49-60H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42+,44+,45+,46-,47-,48-/m1/s1
InChiKey: InChIKey=CDJBLKMFFFYPFM-QZXFRBLOSA-N

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