Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20896
- Core Entity Id
- 26409
- Source Entity Count
- 1
- Preferred Name
- Gypenoside lix
- Name En
- Pubchem Id
- 11968535
- Smiles Canonical
- CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)CO
- Molecular Formula
- C40H68O13
- Molecular Weight
- 756.9710
- Inchikey
- OYAIGUDDJQAZSC-AHSKFEOESA-N
- Inchi
- InChI=1S/C40H68O13/c1-20(17-41)8-7-13-40(6,53-36-34(49)32(47)31(46)27(52-36)19-51-35-33(48)30(45)26(43)18-50-35)23-12-15-39(5)29(23)25(42)16-24-21-9-10-28(44)37(2,3)22(21)11-14-38(24,39)4/h8,21-36,41-49H,7,9-19H2,1-6H3/b20-8+/t21?,22?,23?,24?,25?,26-,27-,28?,29?,30+,31-,32+,33-,34-,35-,36+,38?,39?,40?/m1/s1
- Isomeric Smiles
- C/C(=C\CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)/CO
- Cas Id
- 105214-50-4
- Ob Score
- 17.6559
- Mol Logp
- 1.3704
- Num H Donors
- 9
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1440
- Polar Surface Area
- 219.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gypenoside Lxi_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside LIX
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside LIX
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gypenoside LXI_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside Lix
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Lxi_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside lix
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside lix
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside lxi_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside lxi_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside LIX_qt
Role
alias
Source
TCMBank
Preferred
No
Name
Gypenoside LIX_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gypenoside LIX_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
gypenoside lix
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Gypenoside Lxi_QtGypenoside LIX_qt
Cross References
Trusted external identifiers retained for this final record.
Cas
105214-50-4
Herb
HBIN028624HBIN028636
Npass
NPC218196
Tcmid
9163
Tcmsp
MOL009903MOL009904
Sym Map
SMIT10983SMIT10984
Pub Chem
11968535
Tcmbank
TCMBANKIN008317TCMBANKIN023914
Etcm Ingredient
Gypenoside LIX
Itcmdb Generated
ITX-INGREDIENT-95E73B5A821D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C40H68O13/c1-20(17-41)8-7-13-40(6,53-36-34(49)32(47)31(46)27(52-36)19-51-35-33(48)30(45)26(43)18-50-35)23-12-15-39(5)29(23)25(42)16-24-21-9-10-28(44)37(2,3)22(21)11-14-38(24,39)4/h8,21-36,41-49H,7,9-19H2,1-6H3/b20-8+/t21?,22?,23?,24?,25?,26-,27-,28?,29?,30+,31-,32+,33-,34-,35-,36+,38?,39?,40?/m1/s1
Mol Wt
756.9710000000006
Cas Id
105214-50-4
Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)CO
Mol Log P
1.370400000000005
Version
v1,v2
In Ch Ikey
OYAIGUDDJQAZSC-AHSKFEOESA-N
Ob Score
17.6559056817.65590617.65619.27319.273473919.273474
Suppress
0
Num Hdonors
9
Drug Likeness
0.144
Num Hacceptors
13
Isomeric Smiles
C/C(=C\CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)/CO
Molecule Weight
462.79757.08
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)CO
Molecular Weight
756.470
Molecular Weight
786.99
Molecular Formula
C40H68O13
Molecular Formula
C41H70O14
Molecular Formula
C40H68O13C41H70O14
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.181
Quantitative Estimate Of Drug Likeness（Qed）
0.144