GD136567

Name:

17-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-4,7-dioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-8-one

Formula:

C48H78O19

Smiles:

CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C

Aglycone:

CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0270859

AD48239

Formula: C30H48O5

Smiles:

CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	5.63	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	75.99	NumAromaticRings:	0