GD132706

Name:

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

Formula:

C42H64O14

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC23CC1OC3=O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CC1OC3=O

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0242012

AD47450

Formula: C30H46O3

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC23CC1OC3=O

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.9
AlogP:	6.68	Num_rotatable_bonds:	0
MolWt:	454.7	Num_heavy_atoms:	33
TPSA:	46.53	NumAromaticRings:	0