GD123032

Name:

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

Formula:

C62H94O24

Smiles:

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5C(OC(C)=O)C(OC(=O)c5ccccc5)C5(C)C(C(C)=O)CCC65O)C4)OC3C)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:

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

Sugarmoiety:

COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

• CNP0181207

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