GD009757

Name:

None

Formula:

C50H80O19N2

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)NCC(=O)NCC(=O)O)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)NCC(=O)NCC(=O)O)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

• CHEMBL3425532

AD07625

Formula: C33H52O6N2

Smiles:

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

HBA:	8	RingCount:	5
HBD:	5	FractionCSP3:	0.85
AlogP:	4.05	Num_rotatable_bonds:	6
MolWt:	572.79	Num_heavy_atoms:	41
TPSA:	135.96	NumAromaticRings:	0