GD132425

Name:

2-{[15-(1-hydroxy-6-methyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:

C54H90O23

Smiles:

CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC45CC35CCC12C)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO

Sugarmoiety:

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

Other Identifiers

• CNP0106093

AD53618

Formula: C30H50O3

Smiles:

CC(=CCCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	6
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0