GD150841

Name:

[3-(acetyloxy)-4-{[5-(acetyloxy)-3,4-dimethoxyoxan-2-yl]oxy}-5-({6-[3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl}oxy)oxolan-2-yl]methyl acetate

Formula:

C53H82O20

Smiles:

COC1C(OC(C)=O)COC(OC2C(OC(CCC(C)C3CC(OC(C)=O)C4C3(C)CCC3C5(C)CCC(OC(C)=O)CC5C(OC(C)=O)CC34OC(C)=O)C(C)C)OC(COC(C)=O)C2OC(C)=O)C1OC

Aglycone:

CC(=O)OC1CCC2(C)C(C1)C(OC(C)=O)CC1(OC(C)=O)C2CCC2(C)C(C(C)CCC(O)C(C)C)CC(OC(C)=O)C21.COC(C)=O

Sugarmoiety:

COC1OCOC(OC2C(O)OC(COC(C)=O)C2OC(C)=O)C1OC

Other Identifiers

• CNP0371192

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

AD50101

Formula: C35H56O9

Smiles:

CC(=O)OC1CCC2(C)C(C1)C(OC(C)=O)CC1(OC(C)=O)C2CCC2(C)C(C(C)CCC(O)C(C)C)CC(OC(C)=O)C21

HBA:	9	RingCount:	4
HBD:	1	FractionCSP3:	0.89
AlogP:	5.78	Num_rotatable_bonds:	9
MolWt:	620.82	Num_heavy_atoms:	44
TPSA:	125.43	NumAromaticRings:	0