GD013777

Name:

Maesabalide Iv

Formula:

C74H110O32

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2ccccc2)[C@]23C(CC1(C)C)[C@@]1(CCC4[C@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@H](O)C(O[C@@H]7OC(CO)[C@H](O)C(O)[C@H]7OC7O[C@H](C)C(O)[C@H](O)C7OC7O[C@H](C)[C@H](O)C(O)[C@H]7O)[C@H]6O[C@@H]6OC(CO)[C@H](O)C(O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@@]1(C)C[C@H]2O)O[C@H]3O

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

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

• CHEMBL411240
• CHEMBL414908
• CNP0077542

AD10228

Formula: C44H62O8

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

HBA:	8	RingCount:	7
HBD:	3	FractionCSP3:	0.73
AlogP:	7.39	Num_rotatable_bonds:	5
MolWt:	718.97	Num_heavy_atoms:	52
TPSA:	122.52	NumAromaticRings:	1