GD027730

Name:

None

Formula:

C48H69O16N3

Smiles:

COC(=O)[C@@]1(C)CC[C@]2(C(=O)On3nnc4ccccc43)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[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@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

COC(=O)C1(C)CCC2(C(=O)On3nnc4ccccc43)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL237886

AD18194

Formula: C37H51O7N3

Smiles:

COC(=O)C1(C)CCC2(C(=O)On3nnc4ccccc43)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

HBA:	10	RingCount:	7
HBD:	3	FractionCSP3:	0.73
AlogP:	4.65	Num_rotatable_bonds:	4
MolWt:	649.83	Num_heavy_atoms:	47
TPSA:	144.0	NumAromaticRings:	2