Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72963
- Core Entity Id
- 135612
- Source Entity Count
- 1
- Preferred Name
- Julibrogenin C
- Name En
- Pubchem Id
- 177826914
- Smiles Canonical
- CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC(C56C4CC(C(C5)OC6=O)(C)CC(=O)O)O)C)C)C
- Molecular Formula
- C30H44O6
- Molecular Weight
- 500.3100
- Inchikey
- OAGSBPAJEOBDTB-LBZUJVTFSA-N
- Inchi
- InChI=1S/C31H46O6/c1-26(2)19-9-12-29(5)20(28(19,4)11-10-21(26)32)8-7-17-18-13-27(3,16-24(34)35)23-15-31(18,25(36)37-23)22(33)14-30(17,29)6/h7,18-23,32-33H,8-16H2,1-6H3,(H,34,35)/t18-,19-,20+,21-,22+,23-,27-,28-,29+,30+,31+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.7000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Julibrogenin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Julibrogenin C
Itcmdb Generated
ITX-INGREDIENT-2528B5B27D43
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
500.310
Molecular Formula
C30H44O6
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.356