GD147702

Name:

methyl 2-{[6-({4,5-dihydroxy-6-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-({11-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]formamido}-4-methylpentanoate

Formula:

C63H101O19N3

Smiles:

COC(=O)C(CC(C)C)N=C(O)C1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(=O)C=C4C6CC(C)(C(O)=NC(CC(C)C)C(=O)OC)CCC6(C)CCC45C)C3(C)C)OC(C(O)=NC(CC(C)C)C(=O)OC)C(O)C2O)C(O)C(O)C1O

Aglycone:

COC(=O)C(CC(C)C)N=C(O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(CC(C)C)N=CO.COC(=O)C(CC(C)C)N=CO

Sugarmoiety:

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0211186

AD59144

Formula: C37H59O5N

Smiles:

COC(=O)C(CC(C)C)N=C(O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.86
AlogP:	7.87	Num_rotatable_bonds:	5
MolWt:	597.88	Num_heavy_atoms:	43
TPSA:	96.19	NumAromaticRings:	0

AD59145

Formula: C8H15O3N

Smiles:

COC(=O)C(CC(C)C)N=CO

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	1.16	Num_rotatable_bonds:	4
MolWt:	173.21	Num_heavy_atoms:	12
TPSA:	58.89	NumAromaticRings:	0