GD117890

Name:

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

Formula:

C43H63O12N

Smiles:

CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC(OC(C)=O)C3C(C)C3=NCC(C)CC3)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)CC1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0220291

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

AD19950

Formula: C29H45O3N

Smiles:

CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1=NCC(C)CC1

HBA:	4	RingCount:	5
HBD:	1	FractionCSP3:	0.86
AlogP:	5.97	Num_rotatable_bonds:	3
MolWt:	455.68	Num_heavy_atoms:	33
TPSA:	58.89	NumAromaticRings:	0