GD023546

Name:

Maesabalide I

Formula:

C76H108O32

Smiles:

C[C@@H]1OC(O[C@@H]2C(O)[C@H](O)C(CO)O[C@H]2OC2[C@H](O)C(C(=O)O)O[C@H](O[C@@H]3CC[C@]4(C)C(CC[C@]5(C)C4CC[C@]46O[C@H](O)[C@@]7(C4CC(C)(C)[C@H](OC(=O)c4ccccc4)[C@H]7OC(=O)C=Cc4ccccc4)[C@H](O)C[C@]65C)C3(C)C)[C@H]2O[C@@H]2OC(CO)[C@H](O)C(O)[C@H]2O)C(OC2O[C@H](C)[C@H](O)C(O)[C@H]2O)[C@H](O)C1O

Aglycone:

CC1(C)CC2C3(C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC24OC3O)C(OC(=O)C=Cc2ccccc2)C1OC(=O)c1ccccc1

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

• CHEMBL263931
• CHEMBL265792
• CNP0077543

AD15824

Formula: C46H60O8

Smiles:

CC1(C)CC2C3(C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC24OC3O)C(OC(=O)C=Cc2ccccc2)C1OC(=O)c1ccccc1

HBA:	8	RingCount:	8
HBD:	3	FractionCSP3:	0.65
AlogP:	7.74	Num_rotatable_bonds:	5
MolWt:	740.98	Num_heavy_atoms:	54
TPSA:	122.52	NumAromaticRings:	2