GD135523

Name:

2-{[18-hydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxy}-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-3-yl acetate

Formula:

C44H66O20

Smiles:

COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(C3=CC(=O)OC3)CCC24O)C1OC(C)=O

Aglycone:

CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O

Sugarmoiety:

COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=O

Other Identifiers

• CNP0284590

AD44600

Formula: C23H32O5

Smiles:

CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.87
AlogP:	2.74	Num_rotatable_bonds:	1
MolWt:	388.5	Num_heavy_atoms:	28
TPSA:	79.29	NumAromaticRings:	0