GD122925

Name:

Caprazamycin B

Formula:

C54H89O22N5

Smiles:

COC1C(C)OC(OC(=O)CC(C)CC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)OC2CN(C)C(C(OC3OC(CN)C(O)C3O)C3OC(n4ccc(O)nc4=O)C(O)C3O)C(=O)N(C)C2C(=O)O)C(OC)C1OC

Aglycone:

CC(C)CCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:

COC1C(C)OC(O)C(OC)C1OC.NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0080975

AD15478

Formula: C4H4O2N2

Smiles:

O=c1nc(O)cc[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.52	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.98	NumAromaticRings:	1

AD21579

Formula: C32H56O10N2

Smiles:

CC(C)CCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

HBA:	12	RingCount:	1
HBD:	3	FractionCSP3:	0.84
AlogP:	3.87	Num_rotatable_bonds:	22
MolWt:	628.8	Num_heavy_atoms:	44
TPSA:	170.98	NumAromaticRings:	0