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
- 73303
- Core Entity Id
- 135952
- Source Entity Count
- 1
- Preferred Name
- lobatoside A
- Name En
- Pubchem Id
- 14037410
- Smiles Canonical
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C
- Molecular Formula
- C41H66O14
- Molecular Weight
- 782.4500
- Inchikey
- GMTYIEUFCJJIAD-SBAQFPBZSA-N
- Inchi
- InChI=1S/C41H66O14/c1-36(2)11-13-41(35(50)51)14-12-39(5)20(21(41)15-36)7-8-26-37(3)16-22(44)32(38(4,19-43)25(37)9-10-40(26,39)6)55-34-31(29(48)28(47)24(17-42)53-34)54-33-30(49)27(46)23(45)18-52-33/h7,21-34,42-49H,8-19H2,1-6H3,(H,50,51)/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- Num H Donors
- 9
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 236.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
lobatoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
lobatoside A
Itcmdb Generated
ITX-INGREDIENT-A8DC3E8BF9F9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
782.450
Molecular Formula
C41H66O14
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.132