GD006620

Name:

LEUCASPEROSIDE A

Formula:

C38H60O17

Smiles:

C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]2CC1

Aglycone:

C=CC1(C)C=C2C(=O)CC3C(C)(C)C(O)CCC3(C)C2CC1

Sugarmoiety:

OCC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL501265
• CNP0265713

AD05464

Formula: C20H30O2

Smiles:

C=CC1(C)C=C2C(=O)CC3C(C)(C)C(O)CCC3(C)C2CC1

HBA:	2	RingCount:	3
HBD:	1	FractionCSP3:	0.75
AlogP:	4.29	Num_rotatable_bonds:	1
MolWt:	302.46	Num_heavy_atoms:	22
TPSA:	37.3	NumAromaticRings:	0