Glycoside
GD017152
Name:
NoneFormula:
C30H40O16N18P2Smiles:
Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](CO)O[C@H]3n3c(N)nc4c(N)ncnc43)O[C@H]2n2c(N)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.NC1=Nc2c(N)ncnc2[N]1.NC1=Nc2c(N)ncnc2[N]1.NC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 9 |
| HBD: | 19 | FractionCSP3: | 0.5 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 970.71 | Num_heavy_atoms: | 66 |
| TPSA: | 527.28 | NumAromaticRings: | 6 |
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 |
AD04511
Formula: C5H5N6
Smiles:
NC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
