GD141835

Name:

6-[(4-methoxy-5-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-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:

C55H90O21

Smiles:

COC1CC(OC2CCC3(C)C(CCC45OC(C)C6CCC(=O)C6(C)C(CC43)O5)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)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(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0110797

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