GD000158

Name:

PANICULATUMOSIDE C

Formula:

C53H82O24

Smiles:

CO[C@H]1C[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)C(=CC[C@@H]6C(=O)OC7CO[C@]8(C)OC=C(CC[C@H]65)[C@H]78)C4)C[C@H]3OC)O[C@H]2C)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

• CHEMBL486477
• CNP0113900

AD00194

Formula: C21H28O5

Smiles:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.76
AlogP:	3.08	Num_rotatable_bonds:	0
MolWt:	360.45	Num_heavy_atoms:	26
TPSA:	64.99	NumAromaticRings:	0