GD031026

Name:

None

Formula:

C78H121O26N23S2

Smiles:

CC(=O)N(C)CCCCN(CC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@H](NC(=O)c3nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c3C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OC(N)=O)[C@H]3O)c3cnc[nH]3)[C@H](C)O)n2)n1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O

Aglycone:

CC(=O)N(C)CCCCN(CC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1)C(=O)C1CCCN1C(=O)C1CCCN1C(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4639377

AD20035

Formula: C65H100O15N22S2

Smiles:

CC(=O)N(C)CCCCN(CC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1)C(=O)C1CCCN1C(=O)C1CCCN1C(C)=O

HBA:	37	RingCount:	6
HBD:	20	FractionCSP3:	0.62
AlogP:	-3.76	Num_rotatable_bonds:	42
MolWt:	1493.79	Num_heavy_atoms:	104
TPSA:	559.05	NumAromaticRings:	4