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
- 36355
- Core Entity Id
- 43603
- Source Entity Count
- 1
- Preferred Name
- Veratriloside d
- Name En
- Pubchem Id
- 5315184
- Smiles Canonical
- COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
- Molecular Formula
- C27H32O15
- Molecular Weight
- 596.5380
- Inchikey
- YGPCNVVYCWOUPL-AJRKLXPLSA-N
- Inchi
- InChI=1S/C27H32O15/c1-35-12-6-4-5-10-17(29)16-13(7-14(36-2)24(37-3)25(16)42-23(10)12)40-27-22(34)20(32)19(31)15(41-27)9-39-26-21(33)18(30)11(28)8-38-26/h4-7,11,15,18-22,26-28,30-34H,8-9H2,1-3H3/t11-,15-,18+,19-,20+,21-,22-,26+,27-/m1/s1
- Isomeric Smiles
- COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.3860
- Num H Donors
- 6
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Veratriloside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Veratriloside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
veratriloside d
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047812
Tcmid
22372
Pub Chem
5315184
Tcmbank
TCMBANKIN040856
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H32O15/c1-35-12-6-4-5-10-17(29)16-13(7-14(36-2)24(37-3)25(16)42-23(10)12)40-27-22(34)20(32)19(31)15(41-27)9-39-26-21(33)18(30)11(28)8-38-26/h4-7,11,15,18-22,26-28,30-34H,8-9H2,1-3H3/t11-,15-,18+,19-,20+,21-,22-,26+,27-/m1/s1
Mol Wt
596.5380000000005
Smiles
COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
Mol Log P
-1.385999999999998
In Ch Ikey
YGPCNVVYCWOUPL-AJRKLXPLSA-N
Mol2 Path
/TCM_database/2007_3d_all/22388.mol2
Reference
696
Num Hdonors
6
Drug Likeness
0.165
Num Hacceptors
15
Isomeric Smiles
COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O
Canonical Smiles
COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
Molecular Formula
C27H32O15
Molecular Formula
C27H32O15
Num Rotatable Bonds
8