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
- 64551
- Core Entity Id
- 111569
- Source Entity Count
- 1
- Preferred Name
- Polyphyllin S
- Name En
- Pubchem Id
- 177825890
- Smiles Canonical
- CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)O)C)OC1
- Molecular Formula
- C45H72O18
- Molecular Weight
- 901.0000
- Inchikey
- CECFADWCOVINPQ-GAJUZCPLSA-N
- Inchi
- InChI=1S/C45H72O18/c1-19-8-13-44(56-18-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.1000
- Num H Donors
- 10
- Num H Acceptors
- 18
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 276.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Polyphyllin S
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Polyphyllin S
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26211
Itcmdb Generated
ITX-INGREDIENT-E7F83E72A769
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0