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Substance Name: Agaveside A
RN: 128232-92-8
InChIKey: HZGNQHFLYATDIS-UHFFFAOYSA-N

Note

  • Steroidal glycoside isolated from Agave cantala.

Molecular Formula

  • C60-H98-O30

Molecular Weight

  • 1299.4042
 
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Names and Synonyms

Name of Substance

  • Agaveside A

Synonyms

  • (3beta,5alpha,25R)-Spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-beta-D-Glucopyranoside
  • 3-beta-O-(beta-Xylopyranosyl)(1-2),beta-xylopyranosyl(1-3),beta-(glucopyranosyl(1-3)(beta-xylopyranosyl(1-3)beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane
  • Agaveside A

Systematic Name

  • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 128232-92-8

System Generated Number

  • 0128232928

Structure Descriptors

InChI

1S/C60H98O30/c1-22-7-12-60(80-18-22)23(2)36-32(90-60)14-28-26-6-5-24-13-25(8-10-58(24,3)27(26)9-11-59(28,36)4)81-56-50(89-55-46(76)42(72)47(35(17-63)84-55)85-52-43(73)37(67)29(64)19-77-52)49(41(71)33(15-61)82-56)87-57-51(88-54-45(75)39(69)31(66)21-79-54)48(40(70)34(16-62)83-57)86-53-44(74)38(68)30(65)20-78-53/h22-57,61-76H,5-21H2,1-4H3

InChIKey

HZGNQHFLYATDIS-UHFFFAOYSA-N

Smiles

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)OC2C(C(C(C(O2)CO)OC2C(C(C(CO2)O)O)O)O)O)C)C)C)OC1