Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33422
- Core Entity Id
- 40340
- Source Entity Count
- 1
- Preferred Name
- Sinoside
- Name En
- Pubchem Id
- 10493
- Smiles Canonical
- CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)OC)O
- Molecular Formula
- C30H44O9
- Molecular Weight
- 548.6730
- Inchikey
- VCBRFHLMVHXWFV-RJNXOFJDSA-N
- Inchi
- InChI=1S/C30H44O9/c1-16-27(34)23(36-3)12-25(38-16)39-19-6-8-29(15-31)18(11-19)4-5-21-26(29)22(32)13-28(2)20(7-9-30(21,28)35)17-10-24(33)37-14-17/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3/t16?,18-,19+,20-,21?,22-,23?,25-,26?,27-,28-,29-,30+/m1/s1
- Isomeric Smiles
- CC1[C@H](C(C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C=O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2892
- Num H Donors
- 3
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sinoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,5R,10R,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,5R,10R,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-11,14-dihydroxy-19-oxocard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-11,14-dihydroxy-19-oxocard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-arabino-L-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-19-oxo-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-arabino-L-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-19-oxo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
507-87-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
507-87-9
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70964943
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70964943
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sinogenin-L-oleandrosid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sinogenin-L-oleandrosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Sinogenin-L-oleandrosid [German]
Role
alias
Source
HERB_v2
Preferred
No
Name
Sinogenin-L-oleandrosid [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sinosid [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sinosid [German]
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,5R,10R,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-11,14-dihydroxy-19-oxocard-20(22)-enolide5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-arabino-L-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-19-oxo-507-87-9DTXSID70964943Sinogenin-L-oleandrosidSinogenin-L-oleandrosid [German]Sinosid [German]
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044114
Npass
NPC297498
Tcmid
19942
Tcm Id
23912943
Pub Chem
10493
Tcmbank
TCMBANKIN001927
Etcm Ingredient
Sinoside
Itcmdb Generated
ITX-INGREDIENT-0A30CA71BE58
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H44O9/c1-16-27(34)23(36-3)12-25(38-16)39-19-6-8-29(15-31)18(11-19)4-5-21-26(29)22(32)13-28(2)20(7-9-30(21,28)35)17-10-24(33)37-14-17/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3/t16?,18-,19+,20-,21?,22-,23?,25-,26?,27-,28-,29-,30+/m1/s1
Mol Wt
548.6730000000003
Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)OC)O
Mol Log P
2.289200000000001
In Ch Ikey
VCBRFHLMVHXWFV-RJNXOFJDSA-N
Num Hdonors
3
Drug Likeness
0.269
Num Hacceptors
9
Isomeric Smiles
CC1[C@H](C(C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C=O)OC)O
Canonical Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C=O)OC)O
Herb Alias Names
Sinosid [German]507-87-9Sinogenin-L-oleandrosid [German]Sinogenin-L-oleandrosid5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-arabino-L-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-19-oxo-DTXSID709649433-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-11,14-dihydroxy-19-oxocard-20(22)-enolide(3S,5R,10R,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Weight
548.300
Molecular Weight
548.7 g/mol
Molecular Formula
C30H44O9
Molecular Formula
C30H44O9
Molecular Formula
C30H44O9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.322