Glycoside
GD023119
Name:
NoneFormula:
C30H34O16N24P2Smiles:
[N-]=[N+]=Nc1nc2c(N)ncnc2n1C1OC(COP(=O)(O)O[C@@H]2C(n3c(N=[N+]=[N-])nc4c(N)ncnc43)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H]1OP(=O)(O)OC[C@H]1OC(n2c(N=[N+]=[N-])nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 17 |
| MolWt: | 1048.7 | Num_heavy_atoms: | 72 |
| TPSA: | 595.5 | 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 |
AD03673
Formula: C5H3N8
Smiles:
[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.14 | Num_heavy_atoms: | 13 |
| TPSA: | 127.02 | NumAromaticRings: | 1 |
