GD002179

Name:

None

Formula:

C271H439O86N61P14

Smiles:

CC1=CN([C@@H]2C[C@H](O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](OCc4cn(-c5ccccc5O)nn4)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O[PH](OCCC#N)(OC(C)[C@@H]3O[C@H](n4ccc(N)nc4=O)C[C@H]3O[PH](OCCC#N)(OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@H]3O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)[C@H](CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO[PH](OCCC#N)(O[C@@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@H]3CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)C(O)NC1=O

Aglycone:

CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2ccc(N)nc2=O)OC1C(C)O[PH](OCCC#N)(OC1CC(N2C=C(C)C(=O)NC2O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.Cc1cn(C2CC(O)C(CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O.OCc1cn(-c2ccccc2O)nn1

Sugarmoiety:

OC1CC(O)C(O)O1

Other Identifiers

• CHEMBL2413492

AD02106

Formula: C124H204O41N29P7

Smiles:

Cc1cn(C2CC(O)C(CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O

HBA:	70	RingCount:	14
HBD:	13	FractionCSP3:	0.73
AlogP:	11.75	Num_rotatable_bonds:	76
MolWt:	2973.98	Num_heavy_atoms:	201
TPSA:	882.09	NumAromaticRings:	7

AD02109

Formula: C134H224O42N29P7

Smiles:

CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2ccc(N)nc2=O)OC1C(C)O[PH](OCCC#N)(OC1CC(N2C=C(C)C(=O)NC2O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C

HBA:	71	RingCount:	14
HBD:	10	FractionCSP3:	0.75
AlogP:	13.61	Num_rotatable_bonds:	83
MolWt:	3130.24	Num_heavy_atoms:	212
TPSA:	855.66	NumAromaticRings:	6

AD02110

Formula: C9H9O2N3

Smiles:

OCc1cn(-c2ccccc2O)nn1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.11
AlogP:	0.47	Num_rotatable_bonds:	2
MolWt:	191.19	Num_heavy_atoms:	14
TPSA:	71.17	NumAromaticRings:	2