Cas no 261767-91-3 (Beesioside Q)

Beesioside Q structure
Beesioside Q structure
Product Name:Beesioside Q
CAS No:261767-91-3
MF:C65H106O30
MW:1367.51916456223
CID:836167
Update Time:2024-10-30

Beesioside Q Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-28-oic acid, 3-[(O-b-D-glucopyranosyl-(1?3)-O-6-deoxy-a-L-mannopyranosyl-(1?2) -a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1?4)-O-b-D-glucopyranosyl-(1?6)-b- D-glucopyranosyl ester, (3b)-
    • 3-O-D-glucopyranosyl( 1→3)-L-rhamnopyranosyl(1→2)-L-arabinopyranosyl Oleanolic acid – 28-O-rhamnopyranosyl(1→4)glucopyranosyl(1→6)glucopyranoside
    • BEESIOSIDE Q
    • Olean-12-en-28-oic acid, 3-[(O-b-D-glucopyranosyl-(1?3)-O-6-deoxy-a-L-mannopyranosyl-(1?2) -a-L-arabinopyranosyl)oxy]-, O-6-d
    • 8061AH
    • Beesioside Q
    • Inchi: 1S/C65H106O30/c1-24(2)27-12-17-65(60(83)95-58-50(81)45(76)40(71)31(90-58)22-84-54-51(82)46(77)52(30(21-67)89-54)93-55-47(78)42(73)37(68)25(3)86-55)19-18-63(8)28(36(27)65)10-11-34-62(7)15-14-35(61(5,6)33(62)13-16-64(34,63)9)92-59-53(94-56-48(79)43(74)38(69)26(4)87-56)41(72)32(23-85-59)91-57-49(80)44(75)39(70)29(20-66)88-57/h25-59,66-82H,1,10-23H2,2-9H3/t25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55-,56-,57-,58-,59-,62-,63+,64+,65-/m0/s1
    • InChI Key: ACOGFPXROAGALT-JMUYJUJMSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)C)CC[C@]3(C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)O)O)O3)O)O)O)CC[C@@]12C

Computed Properties

  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 95
  • Rotatable Bond Count: 17
  • Complexity: 2650
  • Topological Polar Surface Area: 472

Experimental Properties

  • Density: 1.51±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.3E-3 g/L) (25 oC),

Beesioside Q Pricemore >>

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¥ 9396 2023-09-15

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