GD140227

Name:

4,5-bis(acetyloxy)-6-({2-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9a,9b,11a-hexamethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)oxan-3-yl acetate

Formula:

C47H76O16

Smiles:

CC(=O)OC1COC(OC2CCC3(C)C(C(OC4OCC(O)C(O)C4O)CC4C5(C)CC(O)C(C6(C)CCC(C(C)(C)O)O6)C5(C)CCC43C)C2(C)C)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1

Sugarmoiety:

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0221651

AD45645

Formula: C31H54O5

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	1.0
AlogP:	5.07	Num_rotatable_bonds:	2
MolWt:	506.77	Num_heavy_atoms:	36
TPSA:	90.15	NumAromaticRings:	0