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
- 72157
- Core Entity Id
- 134806
- Source Entity Count
- 1
- Preferred Name
- GB-1a
- Name En
- Pubchem Id
- 124385005
- Smiles Canonical
- C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O
- Molecular Formula
- C30H22O10
- Molecular Weight
- 542.1200
- Inchikey
- MXEIKUWMKSYEII-KBKXWFDOSA-N
- Inchi
- InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-11,22,27,29,31-36H,12H2/t22-,27+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 174.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
GB-1a
Itcmdb Generated
ITX-INGREDIENT-1E9FB57E2FE0
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
542.120
Molecular Formula
C30H22O10
Fda Maximum Daily Dose (Fdamdd)
0.931
Quantitative Estimate Of Drug Likeness（Qed）
0.165