GD133046

Name:

6-({5-[(5-{[5-({4-hydroxy-5-[(3-methoxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one

Formula:

C61H100O24

Smiles:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC67OC(C)C8CCC(=O)C8(C)C(CC65)O7)C4)CC3OC)CC2OC)OC(C)C1OC1CC(O)C(OC2OC(C)CC(OC3OC(CO)C(O)C(O)C3O)C2OC)C(C)O1

Aglycone:

CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(O)C(OC4OC(C)CC(OC5OC(CO)C(O)C(O)C5O)C4OC)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0324653

AD47021

Formula: C21H32O4

Smiles:

CC1OC23CCC4CC(O)CCC4(C)C2CC(O3)C2(C)C(=O)CCC12

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.95
AlogP:	3.45	Num_rotatable_bonds:	0
MolWt:	348.48	Num_heavy_atoms:	25
TPSA:	55.76	NumAromaticRings:	0