GD140861

Name:

Terminaliaside A

Formula:

C53H84O21

Smiles:

CC=C(C)C(=O)OC1C(O)C(CO)OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(COC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(=O)CC34C)C2(C)C)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(=O)C2(CO)C(O)C1O.CC=C(C)C(=O)O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0217970

AD00342

Formula: C5H8O2

Smiles:

CC=C(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.04	Num_rotatable_bonds:	1
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD06734

Formula: C30H48O5

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(=O)C2(CO)C(O)C1O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	4.26	Num_rotatable_bonds:	1
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	NumAromaticRings:	0