GD023096

Name:

None

Formula:

C72H114O36

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](OC(=O)[C@@]45CCC(C)(C)C[C@H]4C4=CCC6[C@]7(C)CC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(C=O)[C@H]7CC[C@@]6(C)[C@@]4(C)CC5)O[C@H](C)[C@H](O)[C@H]3O)O[C@@H](C)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL408275

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

AD03275

Formula: C30H46O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	6.41	Num_rotatable_bonds:	2
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0