Glycoside
GD037788
Name:
PrfarFormula:
C15H25O15N5P2Smiles:
NC(=O)c1ncn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1NC=NCC(=O)[C@@H](O)[C@@H](O)COP(=O)(O)OAglycone:
CN=CNC1=C(C(N)=O)N=C[N]1.COP(=O)(O)OSugarmoiety:
O=C(O)C(O)C(O)COP(=O)(O)O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.6 |
| AlogP: | -4.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 577.33 | Num_heavy_atoms: | 37 |
| TPSA: | 326.04 | NumAromaticRings: | 1 |
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 |
AD23727
Formula: C6H8ON5
Smiles:
CN=CNC1=C(C(N)=O)N=C[N]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.16 | Num_heavy_atoms: | 12 |
| TPSA: | 93.94 | NumAromaticRings: | 0 |
