GD008692

Name:

None

Formula:

C54H88O18N2

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)N6CCN(CCC(=O)O)CC6)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC2(C(=O)N3CCN(CCC(=O)O)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3427603

AD06910

Formula: C37H60O5N2

Smiles:

CC1(C)CCC2(C(=O)N3CCN(CCC(=O)O)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	7	RingCount:	6
HBD:	3	FractionCSP3:	0.89
AlogP:	5.74	Num_rotatable_bonds:	5
MolWt:	612.9	Num_heavy_atoms:	44
TPSA:	101.31	NumAromaticRings:	0