GD124557

Name:

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

Formula:

C63H96O23

Smiles:

COC1CC(OC2C(C)OC(OC3CCC4(C)C(CCC5(O)C4CC(OC(=O)C=Cc4ccccc4)C4(C)C(C(C)=O)CCC54O)C3)CC2OC)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0228311

AD47789

Formula: C30H40O6

Smiles:

CC(=O)C1CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.67
AlogP:	4.06	Num_rotatable_bonds:	4
MolWt:	496.64	Num_heavy_atoms:	36
TPSA:	104.06	NumAromaticRings:	1