Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68253
- Core Entity Id
- 130902
- Source Entity Count
- 1
- Preferred Name
- 3'''-O-Methylcrenatoside
- Name En
- Pubchem Id
- 10326741
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C3C(OCC(O3)C4=CC(=C(C=C4)O)O)OC(C2OC(=O)C=CC5=CC(=C(C=C5)O)OC)CO)O)O)O
- Molecular Formula
- C30H36O15
- Molecular Weight
- 636.2100
- Inchikey
- UJSFZPXZSSCWGS-BRLAKEAASA-N
- Inchi
- InChI=1S/C30H36O15/c1-13-23(36)24(37)25(38)29(41-13)45-27-26(44-22(35)8-4-14-3-6-17(33)19(9-14)39-2)20(11-31)43-30-28(27)42-21(12-40-30)15-5-7-16(32)18(34)10-15/h3-10,13,20-21,23-34,36-38H,11-12H2,1-2H3/b8-4+/t13-,20+,21+,23-,24+,25+,26+,27-,28+,29-,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.3000
- Num H Donors
- 7
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 223.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3'''-O-Methylcrenatoside
Itcmdb Generated
ITX-INGREDIENT-BBAC9BD87DFC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
636.210
Molecular Formula
C30H36O15
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.113