GD146570

Name:

3,5-dihydroxy-2-{[5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxan-4-yl 2-(methylamino)benzoate

Formula:

C61H95O24N

Smiles:

CNc1ccccc1C(=O)OC1C(O)C(CO)OC(OC2CC3(CO)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OC(COC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O.CNc1ccccc1C(=O)O

Sugarmoiety:

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0176590

AD00255

Formula: C8H9O2N

Smiles:

CNc1ccccc1C(=O)O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	1.43	Num_rotatable_bonds:	2
MolWt:	151.16	Num_heavy_atoms:	11
TPSA:	49.33	NumAromaticRings:	1

AD49857

Formula: C30H50O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O

HBA:	4	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	5.08	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	80.92	NumAromaticRings:	0