GD145733

Name:

lomaiviticin a

Formula:

C68H84O24N6

Smiles:

CCC1(OC2CC(OC)C(O)C(C)O2)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[N-])c4c3c(O)c3c(=O)[cH+][cH+]c(=O)c3c4O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(CC)OC1CC(OC)C(O)C(C)O1)c1c(O)c3c(c(O)c1C2N[N-])C(=O)C=CC3=O

Aglycone:

CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[NH-])c4c3c(O)c3c(=O)[cH+][cH+]c(=O)c3c4O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)c1c(O)c3c(c(O)c1C2N[NH-])C(=O)C=CC3=O

Sugarmoiety:

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

Other Identifiers

• CNP0467107

AD58476

Formula: C54H62O18N6

Smiles:

CCC1(O)C(OC2CC(O)C(N(C)C)C(C)O2)C2=C(C(=O)C1C1C(=O)C3=C(C(N[NH-])c4c3c(O)c3c(=O)[cH+][cH+]c(=O)c3c4O)C(OC3CC(O)C(N(C)C)C(C)O3)C1(O)CC)c1c(O)c3c(c(O)c1C2N[NH-])C(=O)C=CC3=O

HBA:	24	RingCount:	10
HBD:	12	FractionCSP3:	0.52
AlogP:	1.49	Num_rotatable_bonds:	11
MolWt:	1083.11	Num_heavy_atoms:	78
TPSA:	379.32	NumAromaticRings:	3