GD145014

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 9-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:

C55H88O24

Smiles:

C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(O)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(COC(C)=O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12

Aglycone:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12.COC(C)=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0168445

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

AD00328

Formula: C30H48O3

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	7.09	Num_rotatable_bonds:	2
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0