GD031401

Name:

None

Formula:

C53H78O13N4

Smiles:

COc1ccccc1-n1cc(COC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6NC(C)=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)nn1

Aglycone:

COc1ccccc1-n1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4284432

AD20236

Formula: C40H57O4N3

Smiles:

COc1ccccc1-n1cc(COC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1

HBA:	7	RingCount:	7
HBD:	1	FractionCSP3:	0.72
AlogP:	8.48	Num_rotatable_bonds:	5
MolWt:	643.91	Num_heavy_atoms:	47
TPSA:	86.47	NumAromaticRings:	2