GD132600

Name:

1-[14-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-6-yl]ethan-1-one

Formula:

C47H76O22

Smiles:

COC1CC(OC2CCC3(C)C(CCC45OC46CCC(C(C)=O)C6(C)C(O)C(O)C35)C2)OC(C)C1OC1OC(C)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC)C1O

Aglycone:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC)C1O

Other Identifiers

• CNP0189951

AD14841

Formula: C21H32O5

Smiles:

CC(=O)C1CCC23OC24CCC2CC(O)CCC2(C)C4C(O)C(O)C13C

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.95
AlogP:	1.81	Num_rotatable_bonds:	1
MolWt:	364.48	Num_heavy_atoms:	26
TPSA:	90.29	NumAromaticRings:	0