GD132563

Name:

Ternstroemiaside D

Formula:

C60H98O29

Smiles:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C56C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0153954

AD53675

Formula: C30H50O4

Smiles:

CC1(C)CCC2(CO)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

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