GD138234

Name:

6-{[10,21-bis(hydroxymethyl)-2,5,6,10,14-pentamethyl-22-oxo-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-11-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:

C48H74O20

Smiles:

CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC8(CO)CC(OC8=O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC1(CO)CC2OC1=O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0259932

AD55818

Formula: C30H46O5

Smiles:

CC12CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC1(CO)CC2OC1=O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.63	Num_rotatable_bonds:	2
MolWt:	486.69	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0