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
- 18232
- Core Entity Id
- 23441
- Source Entity Count
- 1
- Preferred Name
- Epicatechin-8-c-beta-d-galactopyranoside
- Name En
- Pubchem Id
- 5317057
- Smiles Canonical
- C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O
- Molecular Formula
- C21H24O11
- Molecular Weight
- 452.4120
- Inchikey
- XWDHVYPMZCGHNM-FNJMPTQDSA-N
- Inchi
- InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16+,17+,18-,19-,21+/m1/s1
- Isomeric Smiles
- C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.9390
- Num H Donors
- 9
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epicatechin-8-c-beta-d-galactopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epicatechin-8-c-beta-d-galactopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025311
Npass
NPC310342
Tcmid
6862
Pub Chem
5317057
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16+,17+,18-,19-,21+/m1/s1
Mol Wt
452.4120000000001
Mol Log P
-0.9390000000000003
In Ch Ikey
XWDHVYPMZCGHNM-FNJMPTQDSA-N
Num Hdonors
9
Drug Likeness
0.26
Num Hacceptors
11
Isomeric Smiles
C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O
Canonical Smiles
C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O
Molecular Formula
C21H24O11
Num Rotatable Bonds
3