GD132394

Name:

1-acetyl-7-[(5-{[3-(acetyloxy)-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-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-3a,3b-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:

C56H84O24

Smiles:

COC1CC(OC2CCC3(C)C(CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1OC(C)=O

Aglycone:

CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1OC(C)=O

Other Identifiers

• CNP0121968

AD53602

Formula: C28H38O6

Smiles:

CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.71
AlogP:	3.66	Num_rotatable_bonds:	3
MolWt:	470.61	Num_heavy_atoms:	34
TPSA:	104.06	NumAromaticRings:	1