GD149730

Name:

2,3,4,5-tetrahydroxy-6-({[2,3,4-trihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)oxan-2-yl 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-icosahydropicene-4a-carboxylate

Formula:

C54H88O26

Smiles:

CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(OC(=O)C45CCC(C)(C)C=C4C4CCC6C7(C)CCC(OC8(O)OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)C=C2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1

Sugarmoiety:

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

Other Identifiers

• CNP0254106

AD46176

Formula: C30H48O4

Smiles:

CC1(C)C=C2C3CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0