GD037607

Name:

None

Formula:

C62H88O14N13P

Smiles:

CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C([C@H](CC(N)=O)[C@@]4(C)CCC(=O)NC[C@H](C)OP(=O)([O-])O[C@@H]4[C@H](CO)O[C@H](n5cnc6cc(C)c(C)cc65)[C@H]4O)[C@]4(C)N=C1[C@H](CCC(N)=O)[C@@]4(C)CC(N)=O)[C@H](CCC(N)=O)C3(C)C)[C@H](CCC(N)=O)[C@@]2(C)CC(N)=O

Aglycone:

CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.Cc1cc2c(cc1C)N=C[N]2

Sugarmoiety:

OCC1OC(O)C(O)C1O

Other Identifiers

• DB09387

AD23667

Formula: C48H72O11N11P

Smiles:

CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O

HBA:	22	RingCount:	5
HBD:	14	FractionCSP3:	0.67
AlogP:	2.01	Num_rotatable_bonds:	22
MolWt:	1010.14	Num_heavy_atoms:	71
TPSA:	408.41	NumAromaticRings:	0

AD23668

Formula: C9H9N2

Smiles:

Cc1cc2c(cc1C)N=C[N]2

HBA:	2	RingCount:	2
HBD:	0	FractionCSP3:	0.22
AlogP:	2.21	Num_rotatable_bonds:	0
MolWt:	145.19	Num_heavy_atoms:	11
TPSA:	26.46	NumAromaticRings:	1