GD030714

Name:

None

Formula:

C53H79O18N

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@@H]5CC=C6C(CC[C@]7(C(=O)Nc8ccc(C(=O)O)cc8)CCC(C)(C)C[C@H]67)[C@@]5(C)CC[C@H]4[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)Nc3ccc(C(=O)O)cc3)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3427606

AD19861

Formula: C36H51O5N

Smiles:

CC1(C)CCC2(C(=O)Nc3ccc(C(=O)O)cc3)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.72
AlogP:	7.07	Num_rotatable_bonds:	4
MolWt:	577.81	Num_heavy_atoms:	42
TPSA:	106.86	NumAromaticRings:	1