GD134306

Name:

(-)-Caprazamycin B, Caprazamycin B

Formula:

C54H89O22N5

Smiles:

COC(=O)C1C(OC(=O)CC(CCCCCCCCCCC(C)C)OC(=O)CC(C)CC(=O)OC2OC(C)C(OC)C(OC)C2OC)CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(=O)N1C

Aglycone:

COC(=O)C1C(OC(=O)CC(CCCCCCCCCCC(C)C)OC(=O)CC(C)CC(=O)O)CN(C)C(CO)C(=O)N1C.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

• CNP0343113

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

AD54339

Formula: C32H56O10N2

Smiles:

COC(=O)C1C(OC(=O)CC(CCCCCCCCCCC(C)C)OC(=O)CC(C)CC(=O)O)CN(C)C(CO)C(=O)N1C

HBA:	12	RingCount:	1
HBD:	2	FractionCSP3:	0.84
AlogP:	3.56	Num_rotatable_bonds:	21
MolWt:	628.8	Num_heavy_atoms:	44
TPSA:	159.98	NumAromaticRings:	0