Glycoside
GD155879
Name:
FadhFormula:
C27H35O15N9P2Smiles:
Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1nc(O)nc(O)c1N2Aglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)c1nc(O)nc(O)c1N2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 13 |
| MolWt: | 787.57 | Num_heavy_atoms: | 53 |
| TPSA: | 363.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD23858
Formula: C13H14O2N4
Smiles:
Cc1cc2c(cc1C)N(C)c1nc(O)nc(O)c1N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 258.28 | Num_heavy_atoms: | 19 |
| TPSA: | 81.51 | NumAromaticRings: | 2 |
