GD120879

Name:

[6-({3,5-dihydroxy-2-[(6-hydroxy-7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl)oxy]-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:

C53H86O24

Smiles:

CC(=O)OCC1OC(OC2C(O)C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(O)(CCC(C)COC6OC(C)C(O)C(O)C6O)C(C)C54)C3)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C.COC(C)=O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0202721

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD01953

Formula: C27H44O4

Smiles:

CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	4.67	Num_rotatable_bonds:	4
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0