ANPDB

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3-O-beta- D-glucopyranoside

Canonical Smiles	OC[C@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3(C4C[C@H]4C3C(C)[C@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI	InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18?,20+,21-,22+,23?,24+,25-,26?,27-,28+,29-,30+,31+,32+,33-/m1/s1
InChIKey	XMLLJGHZPHTUKK-WYEALRNLSA-N
Formula	C₃₃H₅₃NO₇
HBA	8
HBD	5
MW	575.79
Rotatable Bonds	3
TPSA	120.64
LogP	3.11
Number Rings	7
Number Aromatic Rings	0
Heavy Atom Count	41
Formal Charge	0
Fraction CSP3	0.94
Exact Mass	575.38
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Neoboutonia mannii	Euphorbiaceae	Plantae	316725
2	Eriosema robustum	Leguminosae/Fabaceae	Plantae	2730182
3	Tephrosia preussi	Leguminosae/Fabaceae	Plantae	1368159
4	Hypericum riparium	Hypericaceae	Plantae	269018
5	Zanthoxylum lemairei	Rutaceae	Plantae	2099535

Showing of synonyms

Mba Nguekeu YM, Awouafack MD, et al. (2017). A kaempferol triglycoside from Tephrosia preussii Taub. (Fabaceae).. Natural product research,2017, 31(21), 2520-2526. [View] [PubMed]
Tala MF, Talontsi FM, et al. (2015). Antimicrobial and cytotoxic constituents from native Cameroonian medicinal plant Hypericum riparium.. Fitoterapia,2015, 102, 149-155. [View] [PubMed]
Kuete V, Nkuete AH, et al. (2014). Cytotoxicity and modes of action of 4'-hydroxy-2',6'-dimethoxychalcone and other flavonoids toward drug-sensitive and multidrug-resistant cancer cell lines.. Phytomedicine : international journal of phytotherapy and phytopharmacology,2014, 21(12), 1651-1657. [View] [PubMed]
Maffo T, Wafo P, et al. (2008). Degraded diterpenoids from the stem bark of Neoboutonia mannii. Phytochemistry Letters, 2008, 1(2), 120-124. [View]
Bitchagno G, Tankeo S, et al. (2015). Lemairones A and B: Two new antibacterial tetraflavonoids from the leaves of Zanthoxylum lemairei (Rutaceae). Phytochemistry Letters, 2015, 14, 1-7. [View]