GD142000

Name:

16-({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxyoxan-2-yl}oxy)-6-(4-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-ene-4,8-dione

Formula:

C59H94O27

Smiles:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(OC4CCC5(C)C6=CCC78C(=O)OC(C)(CCCC(C)(C)O)C7C(=O)CC8(C)C6CCC5C4(C)C)OCC(OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C2O)C1O

Aglycone:

CC(C)(O)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13

Sugarmoiety:

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(O)OCC(OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0327360

AD57166

Formula: C30H46O5

Smiles:

CC(C)(O)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	5.37	Num_rotatable_bonds:	4
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0