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
- 15656
- Core Entity Id
- 20569
- Source Entity Count
- 1
- Preferred Name
- Cuscutoside a
- Name En
- Pubchem Id
- 102405281
- Smiles Canonical
- C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8
- Molecular Formula
- C31H36O16
- Molecular Weight
- 664.6130
- Inchikey
- LXPONZBPYFAEOO-GULFDLELSA-N
- Inchi
- InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1
- Isomeric Smiles
- C1[C@H]2[C@H](CO[C@H]2C3=CC4=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@](CO6)(CO)O)O)OCO4)[C@H](O1)C7=CC8=C(C=C7)OCO8
- Cas Id
- Ob Score
- Mol Logp
- -1.1372
- Num H Donors
- 6
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cuscutoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cuscutoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cuscutoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
cuscutoside a
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022029
Npass
NPC26510
Tcmid
32421
Tcm Id
5340
Pub Chem
102405281
Tcmbank
TCMBANKIN001480
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1
Mol Wt
664.6130000000002
Smiles
C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8
Mol Log P
-1.137199999999998
In Ch Ikey
LXPONZBPYFAEOO-GULFDLELSA-N
Num Hdonors
6
Drug Likeness
0.197
Num Hacceptors
16
Isomeric Smiles
C1[C@H]2[C@H](CO[C@H]2C3=CC4=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@](CO6)(CO)O)O)OCO4)[C@H](O1)C7=CC8=C(C=C7)OCO8
Canonical Smiles
C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8
Molecular Weight
664.6 g/mol
Molecular Formula
C31H36O16
Molecular Formula
C31H36O16
Num Rotatable Bonds
8