GD130980

Name:

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

Formula:

C53H88O21

Smiles:

CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC45CC35CCC12C)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0174061

AD46200

Formula: C30H50O3

Smiles:

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

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