GD118895

Name:

Tricalysioside V

Formula:

C39H56O16

Smiles:

COc1cc(C(=O)OCC2(O)COC(OCC3OC(OC4CCC5(C)C6CCC7CC6(CCC5C4(C)C=O)CC7(O)CO)C(O)C(O)C3O)C2O)ccc1O

Aglycone:

CC1(C=O)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)CO.COC(=O)c1ccc(O)c(OC)c1

Sugarmoiety:

OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0137894

AD00095

Formula: C9H10O4

Smiles:

COC(=O)c1ccc(O)c(OC)c1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.22
AlogP:	1.19	Num_rotatable_bonds:	2
MolWt:	182.17	Num_heavy_atoms:	13
TPSA:	55.76	NumAromaticRings:	1

AD47579

Formula: C20H32O4

Smiles:

CC1(C=O)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)CO

HBA:	4	RingCount:	4
HBD:	3	FractionCSP3:	0.95
AlogP:	2.29	Num_rotatable_bonds:	2
MolWt:	336.47	Num_heavy_atoms:	24
TPSA:	77.76	NumAromaticRings:	0