GD154258

Name:

None

Formula:

C68H82O24N6

Smiles:

CCC1(OC2CC(OC)C(O)C(C)O2)C(OC2CC(O)C(N(C)C)C(C)O2)[C]2C([N+]#N)=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=C2C(=O)C1C1C(=O)C2=C(C(N[N-])C3=C2C(=O)c2c(O)ccc(O)c2C3=O)C(OC2CC(O)C(N(C)C)C(C)O2)C1(CC)OC1CC(OC)C(O)C(C)O1

Aglycone:

CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C4C(=O)c5c(O)ccc(O)c5C(=O)C4=C([N+]#N)C3C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(C(=O)c3c(O)ccc(O)c3C1=O)C2N[NH-]

Sugarmoiety:

COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0474844

AD61292

Formula: C54H60O18N6

Smiles:

CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C4C(=O)c5c(O)ccc(O)c5C(=O)C4=C([N+]#N)C3C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)C1=C(C(=O)c3c(O)ccc(O)c3C1=O)C2N[NH-]

HBA:	24	RingCount:	10
HBD:	10	FractionCSP3:	0.52
AlogP:	1.84	Num_rotatable_bonds:	10
MolWt:	1081.1	Num_heavy_atoms:	78
TPSA:	371.64	NumAromaticRings:	2