GD156925

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 2,2,6a,6b,9,9,12a-heptamethyl-10-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4-carboxylate

Formula:

C54H86O25

Smiles:

CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(OC(=O)C4CC(C)(C)CC5=C6C=CC7C8(C)CCC(OC9(O)OC(CO)C(O)C(O)C9O)C(C)(C)C8CCC7(C)C6(C)CCC54)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2C(C(=O)O)C1

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

• CNP0326806

AD62089

Formula: C30H46O3

Smiles:

CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2C(C(=O)O)C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	7.01	Num_rotatable_bonds:	1
MolWt:	454.7	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0