Macrotermycin D

AlkaPlorer ID: AK150791

Synonym: None

IUPAC Name: (1R,2S,6R,7S,8R,9S,12S,13Z,15Z,17R,18S,19E)-17-[(2R,3S,4S,5S)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-7,8,18-trihydroxy-6,18-dimethyl-4-azatricyclo[10.8.0.02,9]icosa-10,13,15,19-tetraen-3-one

Structure

SMILES: C[C@@H]1CN=C(O)[C@@H]2[C@H](C=C[C@@H]3/C=C\C=C/[C@@H](O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4N)[C@@](C)(O)/C=C/[C@@H]23)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C26H38N2O8/c1-13-11-28-24(33)19-15-9-10-26(2,34)18(36-25-20(27)23(32)17(29)12-35-25)6-4-3-5-14(15)7-8-16(19)22(31)21(13)30/h3-10,13-23,25,29-32,34H,11-12,27H2,1-2H3,(H,28,33)/b5-3-,6-4-,10-9+/t13-,14+,15-,16+,17+,18-,19+,20+,21+,22-,23-,25-,26+/m1/s1

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InChIKey: VRCIDHYGIVVYPC-ANKDQCDJSA-N

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Properties Information

Molecule Weight: 506.5960000000002

TPSA: 178.22

MolLogP: -0.4271999999999979

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information