GD158058

Name:

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[10-methoxy-4,6,12,17,17-pentamethyl-8-(2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-1-yl)-9-oxahexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan-18-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C49H80O18

Smiles:

COC12CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC56CC46CCC3(C)C1C(C)CC(C=C(C)COC1OC(CO)C(O)C(O)C1O)O2

Aglycone:

COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)CC(C=C(C)CO)O2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0298301

AD46784

Formula: C31H50O4

Smiles:

COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)CC(C=C(C)CO)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	6.1	Num_rotatable_bonds:	3
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	58.92	NumAromaticRings:	0