GD123391

Name:

Murucoidin I

Formula:

C51H88O22

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2CC(OC3OC(C)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3OC(=O)C(C)CC)C(C)OC2OC2C(O1)OC(C)C(O)C2O

Aglycone:

CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2CC(O)C(C)OC2OC2C(O1)OC(C)C(O)C2O

Sugarmoiety:

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

Other Identifiers

• CNP0424388

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

AD49788

Formula: C28H50O9

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2CC(O)C(C)OC2OC2C(O1)OC(C)C(O)C2O

HBA:	9	RingCount:	3
HBD:	3	FractionCSP3:	0.96
AlogP:	3.74	Num_rotatable_bonds:	4
MolWt:	530.7	Num_heavy_atoms:	37
TPSA:	123.91	NumAromaticRings:	0