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
- 72047
- Core Entity Id
- 134696
- Source Entity Count
- 1
- Preferred Name
- filiasparoside B
- Name En
- Pubchem Id
- 23624757
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C)C)C)OC1
- Molecular Formula
- C38H60O13
- Molecular Weight
- 724.4000
- Inchikey
- FCNOIVRGSFYSAL-KTBMJHRNSA-N
- Inchi
- InChI=1S/C38H60O13/c1-17-7-10-38(48-14-17)18(2)28-25(51-38)12-23-21-6-5-19-11-20(8-9-36(19,3)22(21)13-27(40)37(23,28)4)49-35-33(45)31(43)30(42)26(50-35)16-47-34-32(44)29(41)24(39)15-46-34/h17-26,28-35,39,41-45H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25+,26-,28+,29+,30-,31+,32-,33-,34+,35-,36+,37-,38-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 194.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
filiasparoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
filiasparoside B
Itcmdb Generated
ITX-INGREDIENT-8FED9CEDE0D9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
724.400
Molecular Formula
C38H60O13
Fda Maximum Daily Dose (Fdamdd)
0.905
Quantitative Estimate Of Drug Likeness（Qed）
0.222