GD031036

Name:

None

Formula:

C50H75O17N

Smiles:

CNc1ccccc1C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@]12CO

Aglycone:

CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL4640788

AD20039

Formula: C38H57O6N

Smiles:

CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	0.76
AlogP:	5.96	Num_rotatable_bonds:	5
MolWt:	623.88	Num_heavy_atoms:	45
TPSA:	119.25	NumAromaticRings:	1