 Home > Encyclopedia > 14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one structure

CAS No:
17413-41-1
Formula:
C23H21NO9
Chemical Name:
14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Synonyms:
6-glucopyranosyl-8-methoxybenzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)one;aristololactam beta-D-glucoside;aristololactam-glucoside;Aristololactam-glucoside;Aristolactam-N-beta-D-glycoside;17413-41-1;CCRIS 2997;6-glucopyranosyl-8-methoxybenzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)one;Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 6-beta-D-glucopyranosyl-8-methoxy-

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14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one Basic Attributes

Molecular Weight：

455.4 g/mol

Exact Mass：

455.12163125 g/mol

Characteristics

PSA：

138 Å²

Drug Information

MeSH Entry Terms：

6-glucopyranosyl-8-methoxybenzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)one

Computed Properties

Molecular Weight:455.4
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:455.12163125
Monoisotopic Mass:455.12163125
Topological Polar Surface Area:138
Heavy Atom Count:33
Complexity:768
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 14-methoxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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