GD033016

Name:

PORSAPOGENIN 5

Formula:

C53H84O22

Smiles:

C[C@@H]1O[C@H](OC[C@@H]2O[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)[C@@H]7C[C@@]6(C(=O)O7)[C@H](O)C[C@]45C)C3(C)C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL525986
• CNP0172861

AD04468

Formula: C30H46O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0