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
- 9670
- Core Entity Id
- 13916
- Source Entity Count
- 1
- Preferred Name
- Adenostemmmoside d
- Name En
- Pubchem Id
- 20055712
- Smiles Canonical
- CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
- Molecular Formula
- C26H40O11
- Molecular Weight
- 528.5950
- Inchikey
- ZIZLXHAAWOMZDL-NYLAXOBMSA-N
- Inchi
- InChI=1S/C26H40O11/c1-23-5-3-6-24(2,22(34)37-20-18(32)17(31)16(30)14(10-27)36-20)15(23)4-7-25-9-12(8-13(29)19(23)25)26(35,11-28)21(25)33/h12-20,27-32,35H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17+,18-,19+,20+,23-,24-,25-,26-/m1/s1
- Isomeric Smiles
- C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)[C@@](C4=O)(CO)O)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.3844
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adenostemmmoside D
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmmoside D
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmmoside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Adenostemmmoside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
adenostemmmoside d
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014699
Tcmid
23668
Sym Map
SMIT22198
Tcm Id
7158
Pub Chem
20055712
Tcmbank
TCMBANKIN017113
Itcmdb Generated
ITX-INGREDIENT-C450CCDDDFE5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H40O11/c1-23-5-3-6-24(2,22(34)37-20-18(32)17(31)16(30)14(10-27)36-20)15(23)4-7-25-9-12(8-13(29)19(23)25)26(35,11-28)21(25)33/h12-20,27-32,35H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17+,18-,19+,20+,23-,24-,25-,26-/m1/s1
Mol Wt
528.5950000000003
Smiles
CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
Mol Log P
-1.384399999999997
Version
v2
In Ch Ikey
ZIZLXHAAWOMZDL-NYLAXOBMSA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.212
Num Hacceptors
11
Isomeric Smiles
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)[C@@](C4=O)(CO)O)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Canonical Smiles
CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
Molecular Weight
0
Molecular Formula
C26H40O11
Molecular Formula
C26H40O11
Num Rotatable Bonds
4