GD036399

Name:

None

Formula:

C49H74O20

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC=C5[C@@H]7C[C@]8(C)C[C@H](OC8=O)[C@@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@@H](C(=O)O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2OC=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2OC=O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4450822

AD22111

Formula: C30H46O4

Smiles:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	1
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0