GD157584

Name:

12-hydroxy-8-{[3-hydroxy-4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one

Formula:

C48H74O21

Smiles:

COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CC(O)C5C(=O)OC6COC7(C)OC=C(CCC54)C67)C3)C(O)C2OC)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:

CC12OC=C3CCC4C(C(=O)OC(CO1)C32)C(O)C=C1CC(O)CCC14C

Sugarmoiety:

COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

• CNP0269170

AD44868

Formula: C21H28O6

Smiles:

CC12OC=C3CCC4C(C(=O)OC(CO1)C32)C(O)C=C1CC(O)CCC14C

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.76
AlogP:	2.05	Num_rotatable_bonds:	0
MolWt:	376.45	Num_heavy_atoms:	27
TPSA:	85.22	NumAromaticRings:	0