GD000293

Name:

None

Formula:

C49H72O20

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]5C(=O)C=C5[C@@H]7C[C@]8(C)C[C@H](COC8=O)[C@@]7(C)CC[C@]56C)C4(C)C)O[C@H](C(=O)O)[C@H](O)[C@H]3O)O[C@@H](C(=O)O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CC(COC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4299549

AD00338

Formula: C31H46O4

Smiles:

CC12CC(COC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	6.11	Num_rotatable_bonds:	0
MolWt:	482.71	Num_heavy_atoms:	35
TPSA:	63.6	NumAromaticRings:	0