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Phenelfamycin H

AlkaPlorer ID: AK010531

Synonym: None

IUPAC Name: (2E,4E,6E)-7-[(2S,3S,5R)-5-[(2S,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,3-dihydroxy-6-[(1E,3E)-5-hydroxypenta-1,3-dienyl]-5,5-dimethyl-4-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Structure

SMILES: CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](O[C@@H]3[C@H](C)O[C@@H](OC[C@H](C(O)=NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)[C@H]4C[C@H](O)[C@H](/C=C/C=C/C=C/C(=O)O)O4)[C@@]4(O)O[C@@H](/C=C/C=C/CO)C(C)(C)[C@@H](OC(=O)CC5=CC=CC=C5)[C@H]4O)C[C@@H]3OC)C[C@H]2OC)O[C@@H](C)[C@H]1O

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InChI: InChI=1S/C65H95NO22/c1-38(58(79-11)39(2)47-33-45(68)46(84-47)27-18-12-13-20-29-52(69)70)24-21-22-30-66-63(74)44(65(75)61(73)62(85-53(71)32-43-25-16-14-17-26-43)64(6,7)51(88-65)28-19-15-23-31-67)37-80-54-35-49(77-9)59(41(4)82-54)87-56-36-50(78-10)60(42(5)83-56)86-55-34-48(76-8)57(72)40(3)81-55/h12-29,39-42,44-51,54-62,67-68,72-73,75H,30-37H2,1-11H3,(H,66,74)(H,69,70)/b13-12+,22-21+,23-15+,27-18+,28-19+,29-20+,38-24+/t39-,40-,41-,42-,44+,45-,46-,47+,48-,49-,50+,51-,54+,55-,56+,57+,58+,59+,60-,61+,62-,65+/m0/s1

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InChIKey: YOXHCTZOURCPOQ-KXTGFZLASA-N

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Properties Information

Molecule Weight: 1242.4600000000005

TPSA？: 308.1

MolLogP？: 5.315600000000015

Number of H-Donors: 7

Number of H-Acceptors: 21

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information