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
- 72590
- Core Entity Id
- 135239
- Source Entity Count
- 1
- Preferred Name
- Hydroxysaikosaponin C
- Name En
- Pubchem Id
- 101691098
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)C)CCC5(C4C(C=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)O)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
- Molecular Formula
- C48H80O18
- Molecular Weight
- 944.5300
- Inchikey
- SDXXOZBRDPPCPQ-QDNMDJFLSA-N
- Inchi
- InChI=1S/C48H80O18/c1-21-30(53)32(55)36(59)41(62-21)66-38-26(19-61-40-35(58)33(56)31(54)25(18-49)63-40)64-42(37(60)34(38)57)65-29-10-11-45(6)27(44(29,4)5)9-12-46(7)39(45)24(51)15-22-23-16-43(2,3)13-14-48(23,20-50)28(52)17-47(22,46)8/h15,21,23-42,49-60H,9-14,16-20H2,1-8H3/t21-,23-,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 12
- Num H Acceptors
- 18
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 298.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Hydroxysaikosaponin C
Itcmdb Generated
ITX-INGREDIENT-7A525111FF05
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
944.530
Molecular Formula
C48H80O18
Fda Maximum Daily Dose (Fdamdd)
0.904
Quantitative Estimate Of Drug Likeness（Qed）
0.103