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Substance Name: Agaveside D
RN: 140400-46-0
InChIKey: NAQDYYJRPQGJHX-UHFFFAOYSA-N

Note

  • From Agave cantala fruits.

Molecular Formula

  • C62-H102-O30

Molecular Weight

  • 1327.4578
 
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Names and Synonyms

Name of Substance

  • Agaveside D

Synonym

  • 3beta-(alpha-L-Rhamnosyl-(1-2),beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl(beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2))-beta-D-glucopyranosyl)-25R-5alpha-spirostane

Systematic Names

  • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranocyl-(1-2))-
  • beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-manopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 140400-46-0

System Generated Number

  • 0140400460

Structure Descriptors

InChI

1S/C62H102O30/c1-22-9-14-62(80-20-22)23(2)36-32(92-62)16-30-28-8-7-26-15-27(10-12-60(26,5)29(28)11-13-61(30,36)6)83-58-52(91-57-48(78)44(74)49(35(19-65)86-57)87-55-46(76)42(72)37(67)24(3)81-55)51(41(71)33(17-63)84-58)89-59-53(90-56-47(77)43(73)38(68)25(4)82-56)50(40(70)34(18-64)85-59)88-54-45(75)39(69)31(66)21-79-54/h22-59,63-78H,7-21H2,1-6H3

InChIKey

NAQDYYJRPQGJHX-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(C(O2)C)O)O)O)OC2C(C(C(C(O2)CO)OC2C(C(C(C(O2)C)O)O)O)O)O)C)C)C)OC1