GD038008

Name:

zorbamycin

Formula:

C55H85O21N19S2

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](CCO)[C@H](O)[C@@H](C)C(=O)N[C@H](C(=O)NCCC1=N[C@H](c2nc(C(=O)NCCC(=N)N)cs2)CS1)C(C)(C)O)[C@@H](O[C@H]1O[C@H](C)[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(CCO)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(c2nc(C(=O)NCCC(=N)N)cs2)CS1)C(C)(C)O)C(O)c1c[nH]cn1

Sugarmoiety:

CC1OC(O)C(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(O)C1O

Other Identifiers

• 52G

AD23823

Formula: C42H64O11N18S2

Smiles:

Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(CCO)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(c2nc(C(=O)NCCC(=N)N)cs2)CS1)C(C)(C)O)C(O)c1c[nH]cn1

HBA:	29	RingCount:	4
HBD:	22	FractionCSP3:	0.55
AlogP:	-4.73	Num_rotatable_bonds:	29
MolWt:	1061.22	Num_heavy_atoms:	73
TPSA:	506.25	NumAromaticRings:	3