GD135226

Name:

1-acetyl-10-(acetyloxy)-3a-hydroxy-7-[(5-{[4-hydroxy-5-({4-methoxy-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)-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoate

Formula:

C63H96O24

Smiles:

COC1CC(OC2CCC3(C)C(CCC4C3C(OC(C)=O)C(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CNP0313675

AD49626

Formula: C30H40O7

Smiles:

CC(=O)OC1C2C(CCC3CC(O)CCC32C)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1

HBA:	7	RingCount:	5
HBD:	2	FractionCSP3:	0.7
AlogP:	4.09	Num_rotatable_bonds:	4
MolWt:	512.64	Num_heavy_atoms:	37
TPSA:	110.13	NumAromaticRings:	1