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
- 64718
- Core Entity Id
- 111736
- Source Entity Count
- 1
- Preferred Name
- Sec-O-Glucosylhamaudol
- Name En
- Pubchem Id
- 10478277
- Smiles Canonical
- CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC4C(C(C(C(O4)CO)O)O)O)(C)C)O
- Molecular Formula
- C21H26O10
- Molecular Weight
- 438.1500
- Inchikey
- QVUPQEXKTXSMKX-JJDILSOYSA-N
- Inchi
- InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14+,17-,18+,19-,20+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.5000
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 155.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sec-O-Glucosylhamaudol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sec-O-Glucosylhamaudol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
sec-O-glucosylhamaudol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26734
Pub Chem
10478277
Etcm Ingredient
sec-O-glucosylhamaudol
Itcmdb Generated
ITX-INGREDIENT-9BA12CED62C7ITX-INGREDIENT-AEE56F90B9D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
438.150
Molecule Formula
C21H26O10
Molecular Formula
C21H26O10
Fda Maximum Daily Dose (Fdamdd)
0.140
Quantitative Estimate Of Drug Likeness（Qed）
0.431