BIAdb Ukrain 3458

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BIAdb Ukrain 3458
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	160028
Chemical data
Formula	C66H72N6O15PS+3
Mol. mass	1252.347841
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

Chelidonium majus

[edit] Function

Anticancer

[edit] General Properties

*Molecular Weight

1252.347841

*Exact Mass

1251.451398

*Molecular Formula

C₆₆H₇₂N₆O₁₅PS+₃

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C

*Isomeric Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C

*XLogP

6.2

*Hydrogen bond donor

6

*Hydrogen bond acceptor

18

*Rotational Bond Count

12

*Topological Polar Surface Area

208

[edit] External Links

• Pubchem

Link to BIAdb Database