Pectolinarin

5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Also Known As: Pectolinarin|Pectolinaroside|n-4-one|Pectolinarin (Standard)|Pectolinarigenin 7-rutinoside|pectolinarigenin-7-O-rutinoside|ERK5-4N22|HY-N0314R|HY-N0314|NP2528|s9054|PECTOLINARIN (REFERENCE GRADE)|5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one|4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-|7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-|5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Molecular Formula	C29H34O15
Molecular Weight	622.18976 g/mol
LogP	-0.5
Topological Polar Surface Area	223.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	622.18976
Monoisotopic Mass	622.18976
Heavy Atoms	44
Complexity	1000.0

Chemical Identifiers

CAS Number	34535-95-0
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
InChIKey	DUXQKCCELUKXOE-CBBZIXHGSA-N