GD019929

Name:

None

Formula:

C68H109O28N11

Smiles:

CC=C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(O)C(CCCCCCCCCCC)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)O)[C@H](C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O

Aglycone:

CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3037887

AD13835

Formula: C56H89O19N11

Smiles:

CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)CCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=O

HBA:	30	RingCount:	2
HBD:	18	FractionCSP3:	0.64
AlogP:	-3.93	Num_rotatable_bonds:	26
MolWt:	1220.39	Num_heavy_atoms:	86
TPSA:	486.97	NumAromaticRings:	1