Molecule

2-(hydroxymethyl)-6-[(18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹?.0?,?.0¹?,¹?]nonadeca-2,4(8),9,15-tetraen-17-yl)oxy]oxane-3,4,5-triol

AlkaPlorer ID: AK325214

Synonym: None

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,17S,18S,19S)-18-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol

Structure

SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H]3C4=CC5=C(C=C4CN4CCC(=C[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]34)OCO5)[C@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C28H37NO14/c30-7-16-20(32)22(34)24(36)27(41-16)40-15-3-10-1-2-29-6-11-4-13-14(39-9-38-13)5-12(11)18(19(10)29)26(15)43-28-25(37)23(35)21(33)17(8-31)42-28/h3-5,15-28,30-37H,1-2,6-9H2/t15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-/m0/s1

InChIKey: NAGIBFPIZBJGNH-DKVFUARPSA-N

Reference

Effects of stress on alkaloid metabolism in Crinum asiaticum☆

PubChem CID: 101529183

LOTUS: LTS0160600

NPASS: NPC65428

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crinum asiaticum	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria crispata	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Atriplex parvifolia	Atriplex	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hesperocyparis arizonica	Hesperocyparis	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia juncea	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viburnum lantana	Viburnum	Adoxaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 611.5970000000003

TPSA？: 220.45999999999995

MolLogP？: -3.602999999999996

Number of H-Donors: 8

Number of H-Acceptors: 15

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi