GD036407

Name:

None

Formula:

C47H74O19

Smiles:

CC1(C)CC[C@]2(O)C(=O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL4791230

AD04485

Formula: C29H46O3

Smiles:

CC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.07	Num_rotatable_bonds:	0
MolWt:	442.68	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0