GD019016

Name:

MAELAXIN D

Formula:

C67H106O30

Smiles:

CC=C(C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]3(C)C[C@H](OC(C)=O)[C@]12CO

Aglycone:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(OC(C)=O)C12CO

Sugarmoiety:

CC1OC(OC2C(OC3C(OC4C(O)C(C(=O)O)OC(O)C4OC4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL455597
• CHEMBL505933
• CNP0028921

AD13325

Formula: C37H58O6

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(OC(C)=O)C12CO

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.84
AlogP:	7.17	Num_rotatable_bonds:	4
MolWt:	598.87	Num_heavy_atoms:	43
TPSA:	93.06	NumAromaticRings:	0