Glycoside
GD141837
Name:
NoneFormula:
C21H29O15N6P2Smiles:
[NH3+]c1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=C(C(=O)O)C=CC3)C(O)C2O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OC.O=C(O)C1=CNCC=C1.[NH3+]c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 667.44 | Num_heavy_atoms: | 44 |
| TPSA: | 313.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD48506
Formula: C5H5N5
Smiles:
[NH3+]c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 79.88 | NumAromaticRings: | 1 |
AD52622
Formula: C6H7O2N
Smiles:
O=C(O)C1=CNCC=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
