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Substance Name: Saponin E, hupehensis
RN: 152464-76-1
InChIKey: DNDOZBDUEDTZGE-UHFFFAOYSA-N

Note

  • Hederagenin from Anemone hupehensis.

Molecular Weight

  • 1515.64
 
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Names and Synonyms

Name of Substance

  • Saponin E, hupehensis

Synonyms

  • 3-O-beta-Glucopyranosyl-1-3-ribopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranosylhederagenin 28-O-rhamnopyranosyl-1-4-glucopyranosyl-1-6-glucopyranoside
  • Hupehensis saponin E

Registry Numbers

CAS Registry Number

  • 152464-76-1

System Generated Number

  • 0152464761

Structure Descriptors

InChI

1S/C70H114O35/c1-26-38(76)43(81)47(85)59(95-26)102-54-33(21-72)98-57(50(88)46(54)84)94-24-34-42(80)45(83)49(87)61(99-34)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(74)22-93-63)104-62-52(90)55(39(77)27(2)96-62)103-58-51(89)53(31(75)23-92-58)101-60-48(86)44(82)41(79)32(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3

InChIKey

DNDOZBDUEDTZGE-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H](O)[C@@H]([C@@H](CO1)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)[C@@H]1[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H](CO[C@@H]2O[C@@H]2[C@@](C)(CO)[C@@H]3[C@@](C)([C@@H]4[C@@](C)(CC3)[C@@]3(C)C(=CC4)[C@@H]4[C@@](C(O[C@@H]5O[C@@H]([C@@H]([C@@H]([C@@H]5O)O)O)CO[C@@H]5O[C@@H]([C@@H]([C@@H]([C@@H]5O)O)O[C@@H]5[C@@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)=O)(CC3)CCC(C4)(C)C)CC2)O)O)O[C@@H]([C@@H]1O)C)O