ITCMDBv1
IngredientID 24146

Lanatoside c

C49H76O20

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Ingredient: 1Target: 12Links: 12
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24146
Core Entity Id
30024
Source Entity Count
1
Preferred Name
Lanatoside c
Name En
Pubchem Id
656630
Smiles Canonical
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Molecular Formula
C49H76O20
Molecular Weight
985.1270
Inchikey
JAYAGJDXJIDEKI-PTGWOZRBSA-N
Inchi
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
Isomeric Smiles
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O
Cas Id
Ob Score
Mol Logp
0.6131
Num H Donors
8
Num H Acceptors
20
Num Rotatable Bonds
11
Drug Likeness
0.1040
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Lanatoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lanatoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lanatoside c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17575-22-3
Role
alias
Source
HERB_v2
Preferred
No
Name
17575-22-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Allocor
Role
alias
Source
itcmdb_public
Preferred
No
Name
Allocor
Role
alias
Source
HERB_v2
Preferred
No
Name
Cedilanid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cedilanid
Role
alias
Source
HERB_v2
Preferred
No
Name
Celadigal
Role
alias
Source
HERB_v2
Preferred
No
Name
Celadigal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolanid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isolanid
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolanide
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolanide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lanatigen C
Role
alias
Source
HERB_v2
Preferred
No
Name
Lanatigen C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lanimerck
Role
alias
Source
HERB_v2
Preferred
No
Name
Lanimerck
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

17575-22-3AllocorCedilanidCeladigalCetosanolIsolanidIsolanideLanatigen CLanimerck

Cross References

Trusted external identifiers retained for this final record.

Hit
C0174
Herb
HBIN032604
Npass
NPC117445
Tcm Id
184072311623117231183073
Pub Chem
656630
Tcmbank
TCMBANKIN006646

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
Mol Wt
985.1270000000005
Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Mol Log P
0.6131000000000084
In Ch Ikey
JAYAGJDXJIDEKI-PTGWOZRBSA-N
Num Hdonors
8
Drug Likeness
0.104
Num Hacceptors
20
Isomeric Smiles
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O
Canonical Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
Herb Alias Names
17575-22-3IsolanidCedilanidCeladigalCetosanolIsolanideLanimerckAllocorLanatigen C
Molecular Weight
985.1 g/mol
Molecular Formula
C49H76O20
Molecular Formula
C49H76O20
Num Rotatable Bonds
11