GD030772

Name:

None

Formula:

C68H108O33

Smiles:

COC(=O)C1OC(O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)OC5OCC(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(OC6OCC(O)C(O)C6O)C5O)CC[C@]34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.COC(=O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL1973380

AD00086

Formula: C30H48O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.23	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0