GD156776

Name:

6-{6-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-18-hydroxy-7,7,12,16-tetramethyl-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylheptan-3-one

Formula:

C53H88O23

Smiles:

CC(C)C(=O)CCC(C)C1C(OC2OCC(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC45CC35C(O)CC12C

Aglycone:

CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

Sugarmoiety:

OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0116938

AD45523

Formula: C30H50O4

Smiles:

CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.97
AlogP:	5.37	Num_rotatable_bonds:	5
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0