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Substance Name: Funkioside I
RN: 60454-83-3
InChIKey: YDCROEKYGULVHJ-HIWAQXEHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C68-H112-O36

Molecular Weight

  • 1505.5968
 
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Names and Synonyms

Results Name

  • Funkioside I

Synonym

  • Funkioside I

Systematic Name

  • D-Galactopyranoside, (3-beta,22-alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-D-mannopyranosyl-(1-4) O-6-deoxy-D-mannopyranosyl-(1-4)-O-(D-xylopyranosyl-(1-3))-O-D-glucopyranosyl-(1-2)-O-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 60454-83-3

System Generated Number

  • 0060454833

Structure Descriptors

InChI

1S/C68H112O36/c1-23(21-90-59-49(84)44(79)41(76)34(17-69)95-59)9-14-68(89)24(2)38-33(104-68)16-31-29-8-7-27-15-28(10-12-66(27,5)30(29)11-13-67(31,38)6)94-63-52(87)47(82)55(36(19-71)97-63)100-65-58(45(80)42(77)35(18-70)96-65)103-64-53(88)57(102-60-48(83)40(75)32(73)22-91-60)56(37(20-72)98-64)101-62-51(86)46(81)54(26(4)93-62)99-61-50(85)43(78)39(74)25(3)92-61/h7,23-26,28-65,69-89H,8-22H2,1-6H3/t23?,24-,25-,26-,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+,60+,61-,62-,63+,64-,65-,66-,67-,68+/m0/s1

InChIKey

YDCROEKYGULVHJ-HIWAQXEHSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5O[C@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@H]7CC[C@@]8(C9CC[C@]1(C(C9CC=C8C7)CC2C1[C@@H]([C@](O2)(CCC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)CO)CO)O)O)CO)C)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.