GD146833

Name:

2-{[3-({4,5-dihydroxy-2-[5,7',9',13'-tetramethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl}oxy)-2,6-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C58H94O27

Smiles:

CC1OC(OCC2OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)(COC7OC(CO)C(O)C(O)C7O)O6)C(C)C54)C3)C(OC3CC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2.OCC1CC(O)C(O)C(O)C1O

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0091127

AD07534

Formula: C7H14O5

Smiles:

OCC1CC(O)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	5	FractionCSP3:	1.0
AlogP:	-2.56	Num_rotatable_bonds:	1
MolWt:	178.18	Num_heavy_atoms:	12
TPSA:	101.15	NumAromaticRings:	0

AD23635

Formula: C27H42O4

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	1
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0