GD115166

Name:

[2,7-dihydroxy-16-({5-[(5-{[4-hydroxy-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-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,9-dimethyl-3,6-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-13-yl]methyl acetate

Formula:

C62H102O27

Smiles:

COC1CC(OC2C(C)OC(OC3CCC4(COC(C)=O)C(CCC5C4CCC4(C)C6C(COC6(C)O)OC54O)C3)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C3C(COC3(C)O)OC12O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(O)C(OC4CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0104038

AD45506

Formula: C23H36O7

Smiles:

CC(=O)OCC12CCC(O)CC1CCC1C2CCC2(C)C3C(COC3(C)O)OC12O

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.96
AlogP:	1.97	Num_rotatable_bonds:	2
MolWt:	424.53	Num_heavy_atoms:	30
TPSA:	105.45	NumAromaticRings:	0