GD140454

Name:

10-[(3-{[4-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosa-15,17-dien-22-one

Formula:

C53H82O22

Smiles:

CC1OC(OC2C(OC3C(O)C(CO)OC(OC4C(OC5CCC6(C)C(CCC7(C)C6C=CC6=C8C9(CCC(C)(OC9=O)C8(C)O)CCC67C)C5(C)C)OC(CO)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(CO)OC(OC4C(O)OC(CO)C(O)C4O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0148905

AD47224

Formula: C30H44O4

Smiles:

CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.83
AlogP:	5.72	Num_rotatable_bonds:	0
MolWt:	468.68	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0