GD149890

Name:

2-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5,19,20-trioxaspiro[hexacyclo[16.2.2.0¹,¹².0²,⁹.0⁴,⁸.0¹³,¹⁸]docosane-6,2'-oxan]-21-eneoxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C44H68O18

Smiles:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(OC6OC(CO)C(O)C(OC7OCC(O)(CO)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC43C)OO5)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(O)CCC43C)OO5)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0364716

AD56957

Formula: C27H40O5

Smiles:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(O)CCC43C)OO5)C1C2C

HBA:	5	RingCount:	8
HBD:	1	FractionCSP3:	0.93
AlogP:	4.78	Num_rotatable_bonds:	0
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	57.15	NumAromaticRings:	0