GD007945

Name:

APOPTOLIDIN A

Formula:

C59H98O20

Smiles:

COC[C@H](CC1O[C@](O)([C@H](O)C2CC(=O)C(C)=CC(C)=CC(C)=C[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3O)C=CC(C)=CCC[C@H](O)[C@H](OC)C2)[C@H](C)[C@H](O)[C@H]1C)O[C@@H]1C[C@@](C)(O)[C@H](O[C@@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@H](C)O1

Aglycone:

COCC(O)CC1OC(O)(C(O)C2CC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)C2)C(C)C(O)C1C

Sugarmoiety:

COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O

Other Identifiers

• CHEMBL1077464

AD06405

Formula: C38H62O10

Smiles:

COCC(O)CC1OC(O)(C(O)C2CC(=O)C(C)=CC(C)=CC(C)=CC(C)C(O)C=CC(C)=CCCC(O)C(OC)C2)C(C)C(O)C1C

HBA:	10	RingCount:	2
HBD:	6	FractionCSP3:	0.71
AlogP:	3.94	Num_rotatable_bonds:	7
MolWt:	678.9	Num_heavy_atoms:	48
TPSA:	166.14	NumAromaticRings:	0