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Substance Name: Agaveside C
RN: 135010-58-1
InChIKey: CKIHADOGTATGRK-UHFFFAOYSA-N

Note

  • A steroidal glycoside from Agave cantala.

Molecular Weight

  • 1343.4568
 
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Names and Synonyms

Name of Substance

  • Agaveside C

Synonym

  • 3-(alpha-Rhamnopyranopyranosyl-(1-2)-beta-glucopyranosyl-(1-3)-beta-glucopyranosyl-(beta-xylopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-2))-beta-glucopyranosyl)-2-hydroxy-5-alpha-spirostane

Registry Numbers

CAS Registry Number

  • 135010-58-1

System Generated Number

  • 0135010581

Structure Descriptors

InChI

1S/C62H102O31/c1-21-9-12-62(81-19-21)22(2)36-32(93-62)14-28-26-8-7-25-13-31(29(66)15-61(25,6)27(26)10-11-60(28,36)5)84-58-52(92-57-48(79)49(38(69)24(4)83-57)88-54-45(76)39(70)30(67)20-80-54)51(42(73)34(17-64)86-58)90-59-53(91-55-46(77)43(74)37(68)23(3)82-55)50(41(72)35(18-65)87-59)89-56-47(78)44(75)40(71)33(16-63)85-56/h21-59,63-79H,7-20H2,1-6H3

InChIKey

CKIHADOGTATGRK-UHFFFAOYSA-N

Smiles

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)C)O)O)O)OC2C(C(C(C(O2)C)O)OC2C(C(C(CO2)O)O)O)O)O)C)C)C)OC1