GD017038

Name:

None

Formula:

C46H73O15N

Smiles:

C[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@](C)(CN[C@H](CO)C(=O)O)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CC1(CNC(CO)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1C(O)C(CO)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1O

Other Identifiers

• CHEMBL2314416

AD12205

Formula: C33H53O5N

Smiles:

CC1(CNC(CO)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.88
AlogP:	5.36	Num_rotatable_bonds:	5
MolWt:	543.79	Num_heavy_atoms:	39
TPSA:	106.86	NumAromaticRings:	0