GD117642

Name:

1-{2,3,3a,3b-tetrahydroxy-7-[(5-{[4-hydroxy-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)-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one

Formula:

C53H88O23

Smiles:

COC1CC(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)=O)C(O)C(O)C34O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1C(O)C(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(O)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

• CNP0344316

AD46935

Formula: C21H34O6

Smiles:

CC(=O)C1C(O)C(O)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

HBA:	6	RingCount:	4
HBD:	5	FractionCSP3:	0.95
AlogP:	0.77	Num_rotatable_bonds:	1
MolWt:	382.5	Num_heavy_atoms:	27
TPSA:	118.22	NumAromaticRings:	0