GD145451

Name:

7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:

C42H64O18

Smiles:

COC1CC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0248060

AD01563

Formula: C23H32O5

Smiles:

CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.83
AlogP:	2.78	Num_rotatable_bonds:	2
MolWt:	388.5	Num_heavy_atoms:	28
TPSA:	83.83	NumAromaticRings:	0