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Substance Name: Neoalsoside A
RN: 143452-01-1
InChIKey: PKPZGKIGQKTIPZ-NZYAALCUSA-N

Note

  • Isolated from Neoalsomitra integrifoliola.

Molecular Formula

  • C48-H82-O18

Molecular Weight

  • 947.1578
 
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Names and Synonyms

Name of Substance

  • Neoalsoside A

Synonym

  • 12,23,25-Trihydroxy-20,24-epoxydammarane-3-O-rhamnosyl-1-2-rhamnosyl-1-3-glucoside

Systematic Names

  • beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-
  • beta-D-Glucopyranoside, (3beta,12beta,23S,24S)-20,24-epoxy-12,23,25-trihydroxydarmmaran-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 143452-01-1

System Generated Number

  • 0143452011

Structure Descriptors

InChI

1S/C48H82O18/c1-19-15-23-24(16-25(50)29-22(11-13-45(23,29)8)47(10)17-26(51)39(65-47)44(6,7)60)46(9)14-12-28(43(4,5)38(19)46)48(66-42-37(59)34(56)31(53)21(3)62-42)40(35(57)32(54)27(18-49)64-48)63-41-36(58)33(55)30(52)20(2)61-41/h19-42,49-60H,11-18H2,1-10H3/t19?,20-,21-,22?,23?,24?,25-,26-,27+,28?,29?,30-,31-,32+,33+,34+,35-,36+,37+,38?,39-,40+,41-,42-,45+,46+,47-,48+/m0/s1

InChIKey

PKPZGKIGQKTIPZ-NZYAALCUSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@]2(C3CC[C@@]4(C5C[C@@H](C6C(CC[C@@]6(C5CC(C4C3(C)C)C)C)[C@@]7(C[C@@H]([C@H](O7)C(C)(C)O)O)C)O)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)CO)O)O)O)O)O