GD151408

Name:

6-{[2-(acetyloxy)-22-(hex-2-enoyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4-({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C67H106O31

Smiles:

CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6OC6OCC(O)(CO)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

Aglycone:

CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

• CNP0348777

AD60391

Formula: C38H60O7

Smiles:

CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

HBA:	7	RingCount:	6
HBD:	2	FractionCSP3:	0.89
AlogP:	7.12	Num_rotatable_bonds:	5
MolWt:	628.89	Num_heavy_atoms:	45
TPSA:	102.29	NumAromaticRings:	0