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name Structure Reference Source Properties Activities Metabolism

(2S,3S,5S,7R,17R,20S,21R,23S,29R)-29-[(diaminomethylidene)ammonio]-23-ethyl-13-hydroxy-29-[2-(1-hydroxycyclopentyl)ethyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.2²⁴,²⁷.1³,¹⁸.1⁵,¹⁷.0²,²⁰.0¹¹,¹⁶]octatriaconta-1(32),11,13,15,18,24,26,30,33,35-decaen-

AlkaPlorer ID: AK221808

Synonym: None

IUPAC Name: (2S,3S,5R,7R,17R,20R,21R,23R,29R)-29-(diaminomethylideneamino)-23-ethyl-13-hydroxy-29-[2-(1-hydroxycyclopentyl)ethyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.224,27.13,18.15,17.02,20.011,16]octatriaconta-1(32),11(16),12,14,18,24(36),25,27(35),30,33-decaen-9-yne-21-sulfonic acid

Structure

SMILES: CC[C@@H]1C[C@@H](S(=O)(=O)O)[C@@H]2C=C3C[C@@H](C[C@@H]4C[C@H](CO)CC#CC5=CC(O)=CC=C5[C@@H]3O4)[C@@H]2C2=CC=C(C=C2)[C@](CCC2(O)CCCC2)(N=C(N)N)OC2=CC=C1C=C2

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InChI: InChI=1S/C47H57N3O8S/c1-2-30-27-42(59(54,55)56)41-26-35-23-34(25-39-22-29(28-51)6-5-7-33-24-37(52)14-17-40(33)44(35)57-39)43(41)32-8-12-36(13-9-32)47(50-45(48)49,21-20-46(53)18-3-4-19-46)58-38-15-10-31(30)11-16-38/h8-17,24,26,29-30,34,39,41-44,51-53H,2-4,6,18-23,25,27-28H2,1H3,(H4,48,49,50)(H,54,55,56)/t29-,30-,34+,39+,41+,42-,43+,44-,47-/m1/s1

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InChIKey: OGDSXJUBFVDABT-QZDLWXEVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 824.0529999999995

TPSA？: 197.92000000000004

MolLogP？: 7.066500000000008

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information