GD007917

Name:

None

Formula:

C56H83O20N

Smiles:

CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CNC(=O)c4ccccc4C(=O)O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[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)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CNC(=O)c1ccccc1C(=O)O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3234648
• CHEMBL3234649

AD00086

Formula: C30H48O3

Smiles:

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

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0

AD06389

Formula: C9H9O3N

Smiles:

CNC(=O)c1ccccc1C(=O)O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.11
AlogP:	0.74	Num_rotatable_bonds:	2
MolWt:	179.17	Num_heavy_atoms:	13
TPSA:	66.4	NumAromaticRings:	1