GD027985

Name:

None

Formula:

C55H95O22N11S

Smiles:

CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CS)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C

Aglycone:

CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(CS)C(=O)O)C(C)C)C(C)C)C(C)C

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL502391

AD18328

Formula: C41H72O12N10S

Smiles:

CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(CS)C(=O)O)C(C)C)C(C)C)C(C)C

HBA:	22	RingCount:	1
HBD:	12	FractionCSP3:	0.76
AlogP:	-2.74	Num_rotatable_bonds:	24
MolWt:	929.15	Num_heavy_atoms:	64
TPSA:	336.66	NumAromaticRings:	0