GD139330

Name:

16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-8-one

Formula:

C54H88O22

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C6=CC(O)C78C(=O)OC(C)(CCCC(C)C)C7CCC8(C)C6CCC5C4(C)C)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0121691

AD02728

Formula: C30H48O4

Smiles:

CC(C)CCCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.05	Num_rotatable_bonds:	4
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0