GD155528

Name:

methyl 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-({2-hydroxy-4,4,11,15,15,19,20-heptamethyl-23-oxohexacyclo[19.2.1.0¹,⁶.0⁷,²⁰.0¹⁰,¹⁹.0¹¹,¹⁶]tetracos-7-en-14-yl}oxy)oxane-2-carboxylate

Formula:

C50H78O18

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C56CC(CC6=O)C34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CC(O)C23CC(CC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0356441

AD61692

Formula: C31H48O3

Smiles:

CC1(C)CC(O)C23CC(CC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	6.32	Num_rotatable_bonds:	0
MolWt:	468.72	Num_heavy_atoms:	34
TPSA:	57.53	NumAromaticRings:	0