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
- 9672
- Core Entity Id
- 13918
- Source Entity Count
- 1
- Preferred Name
- Adenostemmmoside f
- Name En
- Pubchem Id
- 101532857
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
- Molecular Formula
- C26H40O10
- Molecular Weight
- 512.5960
- Inchikey
- GEEXFEDWERRLDB-VEWGAQAMSA-N
- Inchi
- InChI=1S/C26H40O10/c1-22(21(32)35-19-18(30)17(29)16(28)13(11-27)34-19)6-4-7-23(2)14(22)5-8-25-10-12-9-15(26(23,25)33)36-24(12,3)20(25)31/h12-20,27-31,33H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17+,18-,19+,20-,22-,23-,24+,25+,26-/m1/s1
- Isomeric Smiles
- C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@]2([C@@H]5C[C@H](C3)[C@@]([C@H]4O)(O5)C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4045
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adenostemmmoside F
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmmoside F
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmmoside f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Adenostemmmoside f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
adenostemmmoside f
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014701
Tcmid
23670
Sym Map
SMIT22200
Tcm Id
7156
Pub Chem
101532857
Tcmbank
TCMBANKIN036477
Itcmdb Generated
ITX-INGREDIENT-18D76865EB66
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H40O10/c1-22(21(32)35-19-18(30)17(29)16(28)13(11-27)34-19)6-4-7-23(2)14(22)5-8-25-10-12-9-15(26(23,25)33)36-24(12,3)20(25)31/h12-20,27-31,33H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17+,18-,19+,20-,22-,23-,24+,25+,26-/m1/s1
Mol Wt
512.5960000000002
Smiles
CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
Mol Log P
-0.4044999999999983
Version
v2
In Ch Ikey
GEEXFEDWERRLDB-VEWGAQAMSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.274
Num Hacceptors
10
Isomeric Smiles
C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@]2([C@@H]5C[C@H](C3)[C@@]([C@H]4O)(O5)C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Canonical Smiles
CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
Molecular Weight
0
Molecular Formula
C26H40O10
Molecular Formula
C26H40O10
Num Rotatable Bonds
3