Mycinamicin XVIII

AlkaPlorer ID: AK045965

Synonym: 'Mycinamicin XVIII', ''

IUPAC Name: (1S,2S,3S,6E,8S,9R,10R,12R,14E,16S)-9-[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-(hydroxymethyl)-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

Structure

SMILES: CC[C@@H]1OC(=O)/C=C/[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@H](C)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@H]2[C@H]1CO

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InChI: InChI=1S/C29H47NO8/c1-8-23-20(15-31)28-24(37-28)11-10-22(32)17(3)13-18(4)27(16(2)9-12-25(33)36-23)38-29-26(34)21(30(6)7)14-19(5)35-29/h9-12,16-21,23-24,26-29,31,34H,8,13-15H2,1-7H3/b11-10+,12-9+/t16-,17+,18+,19+,20-,21-,23-,24-,26-,27-,28-,29-/m0/s1

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InChIKey: KLZBTEAFUVTFPC-VSBAFMCJSA-N

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Properties Information

Molecule Weight: 537.6940000000002

TPSA: 118.06000000000002

MolLogP: 2.4888000000000017

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information