GD157898

Name:

methyl 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[4-(hydroxymethyl)-11-(methoxycarbonyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylate

Formula:

C56H90O24

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CC(OC6OC(C)C(O)C(O)C6O)C5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

COC(=O)C1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0405609

AD44936

Formula: C31H50O5

Smiles:

COC(=O)C1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	5.27	Num_rotatable_bonds:	2
MolWt:	502.74	Num_heavy_atoms:	36
TPSA:	86.99	NumAromaticRings:	0