ITCMDBv1
IngredientID 1409

28-o-alpha-l-rhamnopyranosyl-(1→2)-beta-dglucopyranosyl(1→6)-beta-d-glucopyranoside 30-no arjunolic acid

C48H78O19

Back to Browse

Relationship Network

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

Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
1409
Core Entity Id
4757
Source Entity Count
1
Preferred Name
28-o-alpha-l-rhamnopyranosyl-(1→2)-beta-dglucopyranosyl(1→6)-beta-d-glucopyranoside 30-no arjunolic acid
Name En
Pubchem Id
51040902
Smiles Canonical
CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)CO)O)O)O)O)O
Molecular Formula
C48H78O19
Molecular Weight
959.1330
Inchikey
IYMDTUUDLAHXGD-HADMNRPSSA-N
Inchi
InChI=1S/C48H78O19/c1-21-29(53)32(56)35(59)39(62-21)65-37-34(58)31(55)26(19-50)64-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(52)38(66-40-36(60)33(57)30(54)25(18-49)63-40)45(5,20-51)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-0.8887
Num H Donors
12
Num H Acceptors
19
Num Rotatable Bonds
9
Drug Likeness
0.0760
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
28-o-alpha-l-rhamnopyranosyl-(1→2)-beta-dglucopyranosyl(1→6)-beta-d-glucopyranoside 30-no arjunolic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
28-o-alpha-l-rhamnopyranosyl-(1→2)-beta-dglucopyranosyl(1→6)-beta-d-glucopyranoside 30-no arjunolic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1268831-65-7
Role
alias
Source
HERB_v2
Preferred
No
Name
1268831-65-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(2alpha,3beta)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(2alpha,3beta)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]arjunolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]arjunolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:68378
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:68378
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501101454
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501101454
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-12-en-28-oic acid, 3-(I(2)-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl ester, (2I+/-,3I(2),4I+/-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-12-en-28-oic acid, 3-(I(2)-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl ester, (2I+/-,3I(2),4I+/-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27136875
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27136875
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1268831-65-72-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(2alpha,3beta)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]arjunolic acidCHEBI:68378DTXSID501101454Olean-12-en-28-oic acid, 3-(I(2)-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl ester, (2I+/-,3I(2),4I+/-)-Q27136875

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN005071
Npass
NPC115205
Tcmid
39947
Pub Chem
51040902

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C48H78O19/c1-21-29(53)32(56)35(59)39(62-21)65-37-34(58)31(55)26(19-50)64-41(37)67-42(61)48-14-12-43(2,3)16-23(48)22-8-9-28-44(4)17-24(52)38(66-40-36(60)33(57)30(54)25(18-49)63-40)45(5,20-51)27(44)10-11-47(28,7)46(22,6)13-15-48/h8,21,23-41,49-60H,9-20H2,1-7H3/t21-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
Mol Wt
959.1330000000006
Mol Log P
-0.8886999999999934
In Ch Ikey
IYMDTUUDLAHXGD-HADMNRPSSA-N
Num Hdonors
12
Drug Likeness
0.076
Num Hacceptors
19
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@H]([C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)CO)O)O)O)O)O
Herb Alias Names
3-O-[beta-D-glucopyranosyl]-28-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl]arjunolic acidCHEBI:68378DTXSID501101454Q271368751268831-65-72-O-(6-deoxy-alpha-L-mannopyranosyl)-1-O-[(2alpha,3beta)-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranoseOlean-12-en-28-oic acid, 3-(I(2)-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl ester, (2I+/-,3I(2),4I+/-)-
Molecular Formula
C48H78O19
Num Rotatable Bonds
9