GD125738

Name:

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

Formula:

C56H90O25

Smiles:

COC1CC(OC2C(O)CC(OC3CCC4(COC(C)=O)C(=CCC5C4CCC4(C)C6C(COC6(C)O)OC54O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C(COC3(C)O)OC12O

Sugarmoiety:

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

• CNP0211345

AD50861

Formula: C23H34O7

Smiles:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C(COC3(C)O)OC12O

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.87
AlogP:	1.89	Num_rotatable_bonds:	2
MolWt:	422.52	Num_heavy_atoms:	30
TPSA:	105.45	NumAromaticRings:	0