GD118434

Name:

1-(16-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-6-yl)-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-1-one

Formula:

C51H80O22

Smiles:

CC1=C(C(=O)CC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CC1=C(C(=O)CC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0288729

AD47352

Formula: C27H40O4

Smiles:

CC1=C(C(=O)CC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.81
AlogP:	4.8	Num_rotatable_bonds:	4
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	66.76	NumAromaticRings:	0