Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17464
- Core Entity Id
- 22581
- Source Entity Count
- 1
- Preferred Name
- Divostroside
- Name En
- Pubchem Id
- 441857
- Smiles Canonical
- CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
- Molecular Formula
- C30H46O8
- Molecular Weight
- 534.6900
- Inchikey
- LEORFFVSVUWAEY-KKFKOBSISA-N
- Inchi
- InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29+,30-/m0/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]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1102
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Divostroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Divostroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Divostroside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Divostroside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
divostroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-3-O-methyl-I+/--L-lyxo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-3-O-methyl-I+/--L-lyxo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
76704-78-4
Role
alias
Source
HERB_v2
Preferred
No
Name
76704-78-4
Role
alias
Source
TCMBank
Preferred
No
Name
76704-78-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9BSB
Role
alias
Source
TCMBank
Preferred
No
Name
C08864
Role
alias
Source
HERB_v2
Preferred
No
Name
C08864
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08864
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:4669
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:4669
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4669
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID101112982
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID101112982
Role
alias
Source
itcmdb_public
Preferred
No
Name
Divostroside
Role
alias
Source
TCMBank
Preferred
No
Name
LS-52392
Role
alias
Source
TCMBank
Preferred
No
Name
Q27106434
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27106434
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarmentogenin 3-O-alpha-L-diginoside
Role
alias
Source
TCMBank
Preferred
No
Name
Sarmentogenin 3-O-alpha-L-diginoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarmentogenin 3-O-alpha-L-diginoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarmentogenin-L-diginosid [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Divaricoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
divaricoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
508-84-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:4668
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID201111137
Role
alias
Source
itcmdb_public
Preferred
No
Name
Divaricosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Divaricosid [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Divaside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarmentogenin-alpha-L-oleandrosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarmentogenin-alpha-L-oleandrosid [German]
Role
alias
Source
HERB_v2
Preferred
No
Name
羊角拗子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YANG JIAO AO ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Divaricate Strophanthus Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-3-O-methyl-I+/--L-lyxo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one76704-78-4AC1L9BSBC08864CHEBI:4669DTXSID101112982LS-52392Q27106434Sarmentogenin 3-O-alpha-L-diginosideSarmentogenin-L-diginosid [German]Divaricoside3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one508-84-9CHEBI:4668DTXSID201111137DivaricosidDivaricosid [German]DivasideSarmentogenin-alpha-L-oleandrosidSarmentogenin-alpha-L-oleandrosid [German]羊角拗子YANG JIAO AO ZIDivaricate Strophanthus Seed
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024293HBIN024289
Npass
NPC263072
Tcmid
65316529
Sym Map
SMIT15200
Tcm Id
224464819
Pub Chem
441857120704
Tcmbank
TCMBANKIN005485TCMBANKIN035741TCMBANKIN051081
Etcm Ingredient
DivostrosideDivaricoside
Itcmdb Generated
ITX-INGREDIENT-232A6B524325ITX-INGREDIENT-1B84F8DED074ITX-INGREDIENT-6A55630073BE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29+,30-/m0/s1
Mol Wt
534.6900000000004
Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
Mol Log P
3.110200000000002
Version
v1,v2
In Ch Ikey
LEORFFVSVUWAEY-KKFKOBSISA-N
Suppress
0
Tcm Name
羊角拗子
Tcm Name2
YANG JIAO AO ZI
Mol2 Path
/TCM_database/2003_3d_all/2592.mol2
Reference
4, 6, 658
Num Hdonors
3
Tcm Name En
Divaricate Strophanthus Seed
Drug Likeness
0.372
Num Hacceptors
8
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]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O
Canonical Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
Herb Alias Names
76704-78-43-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneSarmentogenin 3-O-alpha-L-diginosideCHEBI:4669DTXSID101112982C08864Q27106434(3I(2),5I(2),11I+/-)-3-[(2,6-Dideoxy-3-O-methyl-I+/--L-lyxo-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide
Molecular Weight
534.320
Molecular Weight
534.7 g/mol
Molecule Formula
C30H46O8
Molecular Formula
C30H46O8
Molecular Formula
C30H46O8
Molecular Formula
C30H46O8
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.940
Quantitative Estimate Of Drug Likeness（Qed）
0.426