 Home > Encyclopedia > (1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one

(1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one

(1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one structure

CAS No:
121880-11-3
Formula:
C26H28N2O9
Chemical Name:
(1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one
Synonyms:
nauclecoside;Nauclecoside;121880-11-3;DTXSID10924006;16-Ethenyl-19-hydroxy-21-oxo-14,15,19,20-tetradehydro-18-oxayohimban-17-yl hexopyranoside;Oxayohimban-21-one, 14,15,19,20-tetradehydro-16-ethenyl-17-(beta-D-glucopyranosyloxy)-19-hydroxy-, (3beta,16alpha,17beta)-

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(1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one Basic Attributes

Molecular Weight：

512.5 g/mol

Exact Mass：

512.17948047 g/mol

Characteristics

PSA：

165 Å²

Drug Information

MeSH Entry Terms：

nauclecoside

Computed Properties

Molecular Weight:512.5
XLogP3:0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:512.17948047
Monoisotopic Mass:512.17948047
Topological Polar Surface Area:165
Heavy Atom Count:37
Complexity:1000
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,18R,19R)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,20-hexaen-14-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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