GD010203

Name:

None

Formula:

C58H94O30

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4C[C@@H]5CC[C@@H]6[C@H](CC[C@]7(C)[C@H]6[C@H](O)[C@@H]6O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]67)[C@@]5(C)C[C@H]4O)O[C@@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C.COC(C)=O

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(OC4OC(O)C(O)C(O)C4O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL526519

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD03920

Formula: C27H44O5

Smiles:

CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.74	Num_rotatable_bonds:	0
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0