GD141374

Name:

2-[4-(16-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H76O18

Smiles:

COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0157800

AD13526

Formula: C28H48O4

Smiles:

COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	1.0
AlogP:	5.4	Num_rotatable_bonds:	5
MolWt:	448.69	Num_heavy_atoms:	32
TPSA:	58.92	NumAromaticRings:	0