GD135603

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 1,2-dimethyl-7-methylidene-6-(2-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-5,13-bis(prop-1-en-2-yl)tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecane-16-carboxylate

Formula:

C54H84O23

Smiles:

C=C(C)C1CCC2(C)C(CCC3C4C(C(=C)C)CCC4(C(=O)OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)CCC32C)C(=C)C1CC(=O)OC1OC(CO)C(O)C(O)C1O

Aglycone:

C=C(C)C1CCC2(C)C(CCC3C4C(C(=C)C)CCC4(C(=O)O)CCC32C)C(=C)C1CC(=O)O

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0110796

AD54832

Formula: C30H44O4

Smiles:

C=C(C)C1CCC2(C)C(CCC3C4C(C(=C)C)CCC4(C(=O)O)CCC32C)C(=C)C1CC(=O)O

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.73
AlogP:	7.13	Num_rotatable_bonds:	5
MolWt:	468.68	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0