GD147300

Name:

3,7-dihydroxy-8-{[5-({4-hydroxy-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-methoxy-4-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:

C47H72O21

Smiles:

COC1CC(OC2C(O)CC(OC3C(C)CC(OC4CC5=CCC6C(=O)OC7COC8(C)OC=C(CC(O)C6C5(C)CC4O)C78)OC3OC)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC12OC=C3CC(O)C4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32

Sugarmoiety:

COC1CC(OC2C(O)CC(OC3C(C)CC(O)OC3OC)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0181580

AD58996

Formula: C21H28O7

Smiles:

CC12OC=C3CC(O)C4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.76
AlogP:	1.02	Num_rotatable_bonds:	0
MolWt:	392.45	Num_heavy_atoms:	28
TPSA:	105.45	NumAromaticRings:	0