GD031663

Name:

None

Formula:

C65H104O33

Smiles:

CC1O[C@H](OC2C(O)C(C)O[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CCC5[C@]6(C)CC(O)C(O[C@@H]7OC(CO)C(O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)C6CC[C@@]5(C)[C@@]3(CO)CC4)C2O[C@@H]2OC(C)[C@H](O[C@@H]3OCC(O[C@@H]4OC(CO)C(O)[C@H](O)C4O)[C@H](O)[C@H]3O)[C@H](O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(O)C2OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1868178

AD02512

Formula: C30H46O7

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

HBA:	7	RingCount:	5
HBD:	5	FractionCSP3:	0.87
AlogP:	4.24	Num_rotatable_bonds:	3
MolWt:	518.69	Num_heavy_atoms:	37
TPSA:	135.29	NumAromaticRings:	0