Glycoside
GD121392
Name:
CmpciliatineFormula:
C11H20O10N4P2Smiles:
N=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)CCN)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)OP(=O)(O)CCN.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.25 | Num_heavy_atoms: | 27 |
| TPSA: | 230.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD23683
Formula: C3H11O6NP2
Smiles:
COP(=O)(O)OP(=O)(O)CCN| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 219.07 | Num_heavy_atoms: | 12 |
| TPSA: | 119.08 | NumAromaticRings: | 0 |
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
