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
- 26439
- Core Entity Id
- 32577
- Source Entity Count
- 1
- Preferred Name
- Micranthoside
- Name En
- Pubchem Id
- 102344168
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C22H24O12
- Molecular Weight
- 480.4220
- Inchikey
- BSCOLASOAXHKHJ-QQXOVPSNSA-N
- Inchi
- InChI=1S/C22H24O12/c1-31-9-5-11(25)15-13(6-9)32-21(19(29)17(15)27)8-2-3-10(24)12(4-8)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18-26,28-30H,7H2,1H3/t14-,16-,18+,19+,20-,21-,22-/m1/s1
- Isomeric Smiles
- COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.0376
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Micranthoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Micranthoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
micranthoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035503
Tcmid
37452
Pub Chem
102344168
Tcmbank
TCMBANKIN031452
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H24O12/c1-31-9-5-11(25)15-13(6-9)32-21(19(29)17(15)27)8-2-3-10(24)12(4-8)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18-26,28-30H,7H2,1H3/t14-,16-,18+,19+,20-,21-,22-/m1/s1
Mol Wt
480.4220000000001
Smiles
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
Mol Log P
-1.0376
In Ch Ikey
BSCOLASOAXHKHJ-QQXOVPSNSA-N
Num Hdonors
7
Drug Likeness
0.275
Num Hacceptors
12
Isomeric Smiles
COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Formula
C22H24O12
Molecular Formula
C22H24O12
Num Rotatable Bonds
5