GD146865

Name:

6-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-2-{[6-methoxy-7,13-dimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxan-3-yl]oxy}-5-methyloxane-2,3,4-triol

Formula:

C57H94O26

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C(CCC4C3CC=C3CC(OC5OC(CO)C(OC6OC(C)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C5OC5OC(O)C(O)C(O)C5C)CCC34C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C(CCC4C3CC=C3CC(O)CCC34C)C2C1C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(O)C(O)C(O)C4C)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0392454

AD58854

Formula: C27H44O4

Smiles:

COC1(CCC(C)CO)OC2CC3C(CCC4C3CC=C3CC(O)CCC34C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.93
AlogP:	4.93	Num_rotatable_bonds:	5
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0