GD152288

Name:

Quamoclin V

Formula:

C49H84O24

Smiles:

CCCC1CCCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)CC)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC2C(O1)OC(C)C(O)C2O

Aglycone:

CCC(C)C(=O)O.CCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0192449

AD00363

Formula: C5H10O2

Smiles:

CCC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD60652

Formula: C26H46O10

Smiles:

CCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

HBA:	10	RingCount:	3
HBD:	4	FractionCSP3:	0.96
AlogP:	1.93	Num_rotatable_bonds:	2
MolWt:	518.64	Num_heavy_atoms:	36
TPSA:	144.14	NumAromaticRings:	0