GD121061

Name:

1-[9,11-bis(acetyloxy)-7-{[3-(acetyloxy)-6-[(acetyloxy)methyl]-4,5-bis({[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy})oxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl acetate

Formula:

C72H98O34

Smiles:

CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3CC4=CCC5C(CC(OC(C)=O)C6(C)C5CCC6C(C)(OC(C)=O)C5CC(C)=C(C)C(=O)O5)C4(C)C(OC(C)=O)C3)C(OC(C)=O)C2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC(O)CC2=CCC3C(CC(OC(C)=O)C4(C)C3CCC4C(C)(OC(C)=O)C3CC(C)=C(C)C(=O)O3)C21C.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2OC(O)OC(O)C2OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0062304

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD48696

Formula: C34H48O9

Smiles:

CC(=O)OC1CC(O)CC2=CCC3C(CC(OC(C)=O)C4(C)C3CCC4C(C)(OC(C)=O)C3CC(C)=C(C)C(=O)O3)C21C

HBA:	9	RingCount:	5
HBD:	1	FractionCSP3:	0.76
AlogP:	4.98	Num_rotatable_bonds:	5
MolWt:	600.75	Num_heavy_atoms:	43
TPSA:	125.43	NumAromaticRings:	0