GD009047

Name:

DS-PENAUSTROSIDE A

Formula:

C59H100O24

Smiles:

CO[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](O)[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)C7=CC[C@]8(C)[C@H]([C@@](C)(O)CCCC(C)C)CC[C@@]8(C)[C@H]7CC[C@H]6C5(C)C)OC[C@H](O)[C@H]4O)[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O

Aglycone:

CC(C)CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CHEMBL508958

AD07143

Formula: C30H52O2

Smiles:

CC(C)CCCC(C)(O)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C

HBA:	2	RingCount:	4
HBD:	2	FractionCSP3:	0.93
AlogP:	7.53	Num_rotatable_bonds:	5
MolWt:	444.74	Num_heavy_atoms:	32
TPSA:	40.46	NumAromaticRings:	0