GD036680

Name:

None

Formula:

C58H86O16N4

Smiles:

CC(=O)c1ccccc1-n1cc(CNC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)nn1

Aglycone:

CC(=O)c1ccccc1-n1cc(CNC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1

Sugarmoiety:

CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4244959

AD23132

Formula: C41H58O3N4

Smiles:

CC(=O)c1ccccc1-n1cc(CNC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1

HBA:	7	RingCount:	7
HBD:	2	FractionCSP3:	0.71
AlogP:	8.25	Num_rotatable_bonds:	5
MolWt:	654.94	Num_heavy_atoms:	48
TPSA:	97.11	NumAromaticRings:	2