GD022037

Name:

APOPTOLIDIN

Formula:

C58H96O21

Smiles:

COC[C@H](C[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@H](OC)[C@H](O)CCC=C(C)C=C[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3O)[C@H](C)C=C(C)C=C(C)C=C(C)C(=O)O2)[C@H](C)[C@H](O)[C@H]1C)OC1C[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(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)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

• CHEMBL266642
• CNP0192167

AD02453

Formula: C37H60O11

Smiles:

COCC(O)CC1OC(O)(C(O)C2CC(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)C(C)C(O)C1C

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.7
AlogP:	3.28	Num_rotatable_bonds:	7
MolWt:	680.88	Num_heavy_atoms:	48
TPSA:	175.37	NumAromaticRings:	0