GD134292

Name:

2-({2-[(6,16-dihydroxy-7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C45H74O18

Smiles:

CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(C)C(O)C(O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0149089

AD06757

Formula: C27H44O5

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.64	Num_rotatable_bonds:	4
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0