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: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25234
- Core Entity Id
- 31240
- Source Entity Count
- 1
- Preferred Name
- Lycopose
- Name En
- Pubchem Id
- 11972400
- Smiles Canonical
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6(C(C(C(O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O
- Molecular Formula
- C36H62O31
- Molecular Weight
- 990.8610
- Inchikey
- YMKYJQIVVYKNIO-GGEMGBDXSA-N
- Inchi
- InChI=1S/C36H62O31/c37-1-8-14(44)16(46)21(51)31(57-8)62-26-10(3-39)58-32(22(52)17(26)47)63-27-11(4-40)59-33(23(53)18(27)48)64-28-12(5-41)60-34(24(54)19(28)49)65-29-13(6-42)61-35(25(55)20(29)50)67-36(7-43)30(56)15(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32?,33+,34+,35+,36+/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O
- Cas Id
- Ob Score
- 7.5540
- Mol Logp
- -14.0988
- Num H Donors
- 20
- Num H Acceptors
- 31
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.0640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycopose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycopose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycopose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycopose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lycopose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycopose
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033987
Npass
NPC262519
Tcmid
13217
Tcmsp
MOL005420
Sym Map
SMIT01496SMIT07181
Tcm Id
2639
Pub Chem
11972400
Tcmbank
TCMBANKIN021070
Etcm Ingredient
Lycopose
Itcmdb Generated
ITX-INGREDIENT-0B4298BE8CBD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C36H62O31/c37-1-8-14(44)16(46)21(51)31(57-8)62-26-10(3-39)58-32(22(52)17(26)47)63-27-11(4-40)59-33(23(53)18(27)48)64-28-12(5-41)60-34(24(54)19(28)49)65-29-13(6-42)61-35(25(55)20(29)50)67-36(7-43)30(56)15(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32?,33+,34+,35+,36+/m1/s1
Mol Wt
990.8610000000007
Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6(C(C(C(O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O
Mol Log P
-14.09880000000003
Version
v1,v2
In Ch Ikey
YMKYJQIVVYKNIO-GGEMGBDXSA-N
Ob Score
7.554017733
Suppress
1
Num Hdonors
20
Drug Likeness
0.064
Num Hacceptors
31
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O
Molecule Weight
990.97
Canonical Smiles
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6(C(C(C(O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O
Molecular Weight
990.330
Molecule Formula
C36H62O31
Molecular Formula
C36H62O31
Molecular Formula
C36H62O31
Molecular Formula
C36H62O31
Num Rotatable Bonds
17
Link Ingredient Id
1496.0
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.064