GD140027

Name:

8-[(5-{[5-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

Formula:

C60H94O27

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4C(=O)OC5COC6(C)OC=C(CCC43)C56)C2)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0167267

AD00194

Formula: C21H28O5

Smiles:

CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.76
AlogP:	3.08	Num_rotatable_bonds:	0
MolWt:	360.45	Num_heavy_atoms:	26
TPSA:	64.99	NumAromaticRings:	0