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
- 19636
- Core Entity Id
- 25009
- Source Entity Count
- 1
- Preferred Name
- Galiridoside
- Name En
- Pubchem Id
- 21604823
- Smiles Canonical
- CC12C(O1)CC3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C15H22O9
- Molecular Weight
- 346.3320
- Inchikey
- RUROMUOJORASTD-VOAFIZDZSA-N
- Inchi
- InChI=1S/C15H22O9/c1-14-7(24-14)4-15(20)2-3-21-13(11(14)15)23-12-10(19)9(18)8(17)6(5-16)22-12/h2-3,6-13,16-20H,4-5H2,1H3/t6-,7+,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@]12[C@@H](O1)C[C@]3([C@@H]2[C@@H](OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.4186
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Galiridoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Galiridoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Galiridoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
galiridoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL9057635
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9057635
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL9057635
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027026
Npass
NPC62984
Tcmid
8093
Pub Chem
21604823
Tcmbank
TCMBANKIN040839
Etcm Ingredient
Galiridoside
Itcmdb Generated
ITX-INGREDIENT-F5ECE6FB86E8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O9/c1-14-7(24-14)4-15(20)2-3-21-13(11(14)15)23-12-10(19)9(18)8(17)6(5-16)22-12/h2-3,6-13,16-20H,4-5H2,1H3/t6-,7+,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1
Mol Wt
346.3320000000001
Smiles
CC12C(O1)CC3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Mol Log P
-2.418599999999998
In Ch Ikey
RUROMUOJORASTD-VOAFIZDZSA-N
Mol2 Path
/TCM_database/2007_3d_all/08094.mol2
Reference
2499, 4483
Num Hdonors
5
Drug Likeness
0.353
Num Hacceptors
9
Isomeric Smiles
C[C@@]12[C@@H](O1)C[C@]3([C@@H]2[C@@H](OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
CC12C(O1)CC3(C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
SCHEMBL9057635
Molecular Weight
346.130
Molecular Weight
346.33 g/mol
Molecular Formula
C15H22O9
Molecular Formula
C15H22O9
Molecular Formula
C15H22O9
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.072
Quantitative Estimate Of Drug Likeness（Qed）
0.353