Glycoside
GD146041
Name:
PcpcFormula:
C18H26O15N6P2Smiles:
N=c1ccn(C2OC(COP(=O)(O)OC3C(COP(=O)(O)O)OC(n4ccc(=N)nc4O)C3O)C(O)C2O)c(O)n1Aglycone:
COP(=O)(O)O.COP(=O)(O)O.N=C1C=C[N]C(O)=N1.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.38 | Num_heavy_atoms: | 41 |
| TPSA: | 325.47 | NumAromaticRings: | 2 |
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 |
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 |
