GD019097

Name:

XANIFOLIA O54

Formula:

C60H100O28

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](OC[C@@]34CC[C@]5(C)C(=CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@H]7CC[C@]65C)[C@H]3CC(C)(C)[C@H](O)[C@H]4O)O[C@@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O

Sugarmoiety:

CC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2058438
• CNP0321529

AD07384

Formula: C30H50O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CO)C(O)C1O

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0