Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8866
- Core Entity Id
- 13022
- Source Entity Count
- 1
- Preferred Name
- 8-hydroxy-10-hydrosweroside
- Name En
- Pubchem Id
- 102316721
- Smiles Canonical
- CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O
- Molecular Formula
- C16H24O10
- Molecular Weight
- 376.3580
- Inchikey
- MYQCQYWRQBLOTC-IJWPWEQFSA-N
- Inchi
- InChI=1S/C16H24O10/c1-6(18)10-7-2-3-23-14(22)8(7)5-24-15(10)26-16-13(21)12(20)11(19)9(4-17)25-16/h5-7,9-13,15-21H,2-4H2,1H3/t6?,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
- Isomeric Smiles
- CC([C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3968
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Hydroxy-10-hydrosweroside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-hydroxy-10-hydrosweroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-hydroxy-10-hydrosweroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-hydroxy-10-hydrosweroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013753
Tcmid
10173
Pub Chem
102316721
Tcmbank
TCMBANKIN002662
Etcm Ingredient
8-Hydroxy-10-hydrosweroside
Itcmdb Generated
ITX-INGREDIENT-9B255B279BE3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H24O10/c1-6(18)10-7-2-3-23-14(22)8(7)5-24-15(10)26-16-13(21)12(20)11(19)9(4-17)25-16/h5-7,9-13,15-21H,2-4H2,1H3/t6?,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
Mol Wt
376.3580000000001
Smiles
CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O
Mol Log P
-2.396799999999998
In Ch Ikey
MYQCQYWRQBLOTC-IJWPWEQFSA-N
Num Hdonors
5
Drug Likeness
0.335
Num Hacceptors
10
Isomeric Smiles
CC([C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Canonical Smiles
CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O
Molecular Weight
376.140
Molecular Weight
376.36 g/mol
Molecular Formula
C16H24O10
Molecular Formula
C16H24O10
Molecular Formula
C16H24O10
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.146
Quantitative Estimate Of Drug Likeness（Qed）
0.335