GD144409

Name:

10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-en-23-one

Formula:

C48H76O20

Smiles:

CC1(CO)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(OC3OC(CO)C(O)C(O)C3O)C23CC1OC3=O

Aglycone:

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0257535

AD58038

Formula: C30H46O5

Smiles:

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.63	Num_rotatable_bonds:	1
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0