Leptine I structure

Leptine I

[7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate

Also Known As: Leptine I|Leptin I|Leptine I, from Solanum chacoense|Leptine 1|[7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate|3-{[6-Deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranosyl]oxy}solanid-5-en-23-yl acetate

CAS: 101030-83-5
Molecular Formula C47H75NO16
Molecular Weight 909.5086 g/mol
LogP 1.4
Topological Polar Surface Area 247.0 Ų
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 17
Rotatable Bonds 9
Exact Mass 909.5086
Monoisotopic Mass 909.5086
Heavy Atoms 64
Complexity 1720.0

Chemical Identifiers

CAS Number 101030-83-5
SMILES CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC(=O)C
InChIKey XMZHRQCSOUZPRM-UHFFFAOYSA-N

Product Overview

Leptine I (CAS 101030-83-5), with molecular formula C47H75NO16 and molecular weight 909.5086 g/mol. IUPAC: [7-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-18-yl] acetate.

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