IngredientID 65448

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

C28H34O15

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Herb: 12Ingredient: 1Target: 2Links: 16

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Scalar fields from the final ingredient record.

Ingredient Id: 65448
Core Entity Id: 128097
Source Entity Count: 1
Preferred Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
Name En
Pubchem Id: 16394497
Smiles Canonical: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Molecular Formula: C28H34O15
Molecular Weight: 610.1900
Inchikey: QUQPHWDTPGMPEX-SGHBVPQBSA-N
Inchi: InChI=1S/C28H34O15/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/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10?,17-,19?,21?,22?,23?,24?,25?,26?,27?,28?/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp: -1.1000
Num H Donors: 8
Num H Acceptors: 15
Num Rotatable Bonds: 7
Drug Likeness
Polar Surface Area: 234.0000
Molecular Volume
Alogp

Preferred names, aliases, and source labels retained in the final schema.

Name

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Trusted external identifiers retained for this final record.

Etcm Ingredient

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

Itcmdb Generated

ITX-INGREDIENT-54196FE8F6BD

Merged source attributes and domain-specific metadata.

Molecular Weight

610.190

Molecular Formula

C28H34O15

Fda Maximum Daily Dose (Fdamdd)

0.023

Quantitative Estimate Of Drug Likeness（Qed）

0.185