GD011819

Name:

MIRABILIN LACTONE

Formula:

C58H92O27

Smiles:

CC1(C)[C@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]3CC=C4[C@@H]5C[C@]6(C)CC[C@@]5(COC6=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@H]12

Aglycone:

CC12CCC3(COC1=O)C(O)CC1(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C3C2

Sugarmoiety:

OCC1OC(OCC2OC(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL505904
• CNP0174911

AD08979

Formula: C30H46O4

Smiles:

CC12CCC3(COC1=O)C(O)CC1(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C3C2

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0