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
- 20374
- Core Entity Id
- 25826
- Source Entity Count
- 1
- Preferred Name
- Glochidionionoside a
- Name En
- Pubchem Id
- 11825585
- Smiles Canonical
- CC(C=CC1(C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O)O
- Molecular Formula
- C19H30O9
- Molecular Weight
- 402.4400
- Inchikey
- UBPXJBQKHFQSGI-CDPGZDAZSA-N
- Inchi
- InChI=1S/C19H30O9/c1-10(21)4-5-19(26)11(6-12(22)7-18(19,2)3)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,10,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t10-,13+,14+,15-,16+,17+,19+/m0/s1
- Isomeric Smiles
- C[C@@H](/C=C/[C@]1(C(=CC(=O)CC1(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.6036
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochidionionoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glochidionionoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glochidionionoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027978
Npass
NPC181508
Tcmid
8564
Pub Chem
11825585
Tcmbank
TCMBANKIN049402
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H30O9/c1-10(21)4-5-19(26)11(6-12(22)7-18(19,2)3)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,10,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t10-,13+,14+,15-,16+,17+,19+/m0/s1
Mol Wt
402.4400000000001
Smiles
CC(C=CC1(C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O)O
Mol Log P
-1.603599999999998
In Ch Ikey
UBPXJBQKHFQSGI-CDPGZDAZSA-N
Mol2 Path
/TCM_database/2007_3d_all/08565.mol2
Reference
4323
Num Hdonors
6
Drug Likeness
0.288
Num Hacceptors
9
Isomeric Smiles
C[C@@H](/C=C/[C@]1(C(=CC(=O)CC1(C)C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Canonical Smiles
CC(C=CC1(C(=CC(=O)CC1(C)C)COC2C(C(C(C(O2)CO)O)O)O)O)O
Molecular Weight
402.4 g/mol
Molecular Formula
C19H30O9
Molecular Formula
C19H30O9
Num Rotatable Bonds
6