GD138815

Name:

2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[9-methoxy-4,6,11,16,16-pentamethyl-7-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-17-yl]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H90O23

Smiles:

COC12CC3(C)C4CCC5C(C)(C)C(C6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC3(C)C1C(C)C(CC=C(C)COC1OC(CO)C(O)C(O)C1O)O2

Aglycone:

COC12CC3(C)C4CCC5C(C)(C)CCCC56CC46CCC3(C)C1C(C)C(CC=C(C)CO)O2

Sugarmoiety:

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

Other Identifiers

• CNP0285503

AD56003

Formula: C31H50O3

Smiles:

COC12CC3(C)C4CCC5C(C)(C)CCCC56CC46CCC3(C)C1C(C)C(CC=C(C)CO)O2

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.94
AlogP:	7.13	Num_rotatable_bonds:	4
MolWt:	470.74	Num_heavy_atoms:	34
TPSA:	38.69	NumAromaticRings:	0