GD037185

Name:

None

Formula:

C61H90O21

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CO[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)[C@H](OC(=O)C=Cc7ccccc7)C[C@@]6(C(=O)O)CC[C@]45C)C3(C)C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:

CC1OC(OC2COC(O)C(OC3OCC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4281806

AD02167

Formula: C39H54O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.69
AlogP:	8.47	Num_rotatable_bonds:	4
MolWt:	602.86	Num_heavy_atoms:	44
TPSA:	83.83	NumAromaticRings:	1