GD035099

Name:

None

Formula:

C52H76O12N4

Smiles:

CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)OCc4cn(-c5ccccc5)nn4)CC[C@]23C)C1(C)C

Aglycone:

CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL4294650

AD22229

Formula: C39H55O3N3

Smiles:

CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	6	RingCount:	7
HBD:	1	FractionCSP3:	0.72
AlogP:	8.47	Num_rotatable_bonds:	4
MolWt:	613.89	Num_heavy_atoms:	45
TPSA:	77.24	NumAromaticRings:	2