GD146145

Name:

2-{[6-({6-[(6-{[10-(hydroxymethyl)-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]henicos-4-en-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol

Formula:

C49H78O18

Smiles:

COC1CC(OC2CCC3(CO)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(CO)C1CCC4(C)C32

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0151529

AD08796

Formula: C21H30O5

Smiles:

CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(CO)C1CCC4(C)C32

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	2.36	Num_rotatable_bonds:	1
MolWt:	362.47	Num_heavy_atoms:	26
TPSA:	68.15	NumAromaticRings:	0