GD120573

Name:

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

Formula:

C44H62O17

Smiles:

CC(=O)OCC1OC(OC2CC3C(=CCC4C3(C)C(=O)CC3(C)C(C(C)(O)C(C)=O)C(OC(C)=O)CC43C)C(C)(C)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(OC(C)=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0251798

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

AD48457

Formula: C30H44O8

Smiles:

CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(OC(C)=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(C)=O

HBA:	8	RingCount:	4
HBD:	2	FractionCSP3:	0.8
AlogP:	3.55	Num_rotatable_bonds:	4
MolWt:	532.67	Num_heavy_atoms:	38
TPSA:	127.2	NumAromaticRings:	0