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
- 72048
- Core Entity Id
- 134697
- Source Entity Count
- 1
- Preferred Name
- filiasparoside D
- Name En
- Pubchem Id
- 23624759
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C)C)C)OC1
- Molecular Formula
- C38H62O12
- Molecular Weight
- 710.4200
- Inchikey
- OSHZDTNWJYPSSP-JSYHJTIVSA-N
- Inchi
- InChI=1S/C38H62O12/c1-18-7-12-38(47-15-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)48-35-33(44)31(42)30(41)27(49-35)17-46-34-32(43)29(40)25(39)16-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 177.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
filiasparoside D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
filiasparoside D
Itcmdb Generated
ITX-INGREDIENT-9B8C370C085A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
710.420
Molecular Formula
C38H62O12
Fda Maximum Daily Dose (Fdamdd)
0.442
Quantitative Estimate Of Drug Likeness（Qed）
0.230