GD038624

Name:

bleomycin a2

Formula:

C55H85O21N17S3

Smiles:

Cc1c(N)nc([C@H](CC(N)=O)NC[C@@H](N)C(N)=O)nc1C(=O)N[C@@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[SH](C)C)cs2)cs1)[C@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1

Aglycone:

Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[SH](C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1

Sugarmoiety:

NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

• BLM

AD24076

Formula: C42H64O10N16S3

Smiles:

Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[SH](C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1

HBA:	26	RingCount:	4
HBD:	18	FractionCSP3:	0.52
AlogP:	-3.07	Num_rotatable_bonds:	28
MolWt:	1049.28	Num_heavy_atoms:	71
TPSA:	436.68	NumAromaticRings:	4