GD004026

Name:

PENGITOXIN

Formula:

C51H74O19

Smiles:

CC(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@H](C6=CC(=O)OC6)[C@H](OC(C)=O)C[C@@]54O)C3)C[C@H]2OC(C)=O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O1

Aglycone:

CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

Sugarmoiety:

CC(=O)OC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC(C)=O)CC2OC(C)=O)OC(C)C1OC(C)=O

Other Identifiers

• CHEMBL3989807
• CNP0074572

AD01727

Formula: C25H36O6

Smiles:

CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.84
AlogP:	3.15	Num_rotatable_bonds:	2
MolWt:	432.56	Num_heavy_atoms:	31
TPSA:	93.06	NumAromaticRings:	0