Diosmin

Name: Diosmin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₂O₁₅ — CID 5281613

💊View drug profile → diosmin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-hydroxy-2-(3-hydroxy-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

SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O

InChIInChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChIKeyGZSOSUNBTXMUFQ-YFAPSIMESA-N

MW608.55 g/mol

LogP-1.09

Rot. Bonds7

About Diosmin

Diosmin (PubChem CID 5281613) has the molecular formula C₂₈H₃₂O₁₅ and a molecular weight of 608.55 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxy-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.

Molecular Properties

Compound Name	Diosmin
PubChem CID	5281613
Molecular Formula	C₂₈H₃₂O₁₅
Molecular Weight	608.55 g/mol
Exact Mass	608.17
IUPAC Name	5-hydroxy-2-(3-hydroxy-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
SMILES	COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
InChI	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey	GZSOSUNBTXMUFQ-YFAPSIMESA-N
XLogP	-1.09
TPSA	238.20 Å²
H-Bond Donors	8
H-Bond Acceptors	15
Rotatable Bonds	7
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.55
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Diosmin?

The IUPAC name of Diosmin (CID 5281613) is 5-hydroxy-2-(3-hydroxy-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.

What is the SMILES notation for Diosmin?

The canonical SMILES for Diosmin is COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O.

What is the InChIKey of Diosmin?

The InChIKey is GZSOSUNBTXMUFQ-YFAPSIMESA-N. The full InChI is InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1.

What are the key properties of Diosmin?

Diosmin has a molecular weight of 608.55 g/mol, XLogP of -1.09, 7 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Diosmin is sourced from PubChem (CID 5281613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5281613 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 3157 — approved-drug record (CC BY-SA 4.0)

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