Glycoside
GD123187
Name:
[(5-{[2,4-dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohexyl]oxy}-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-2-methyloxolan-3-yl)methoxy]phosphonic acidFormula:
C21H43O17N7P2Smiles:
CNC1C(OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2COP(=O)(O)O)OC(CO)C(O)C1OAglycone:
COP(=O)(O)O.N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.9 |
| AlogP: | -6.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 727.56 | Num_heavy_atoms: | 47 |
| TPSA: | 407.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD46869
Formula: C8H19O7N6P
Smiles:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.25 | Num_heavy_atoms: | 22 |
| TPSA: | 251.25 | NumAromaticRings: | 0 |
