Glycoside
GD013654
Name:
NoneFormula:
C30H35O19N24P3Smiles:
[N-]=[N+]=Nc1nc2c(N)ncnc2n1C1OC(COP(=O)(O)O)C(O)C1OP(=O)(O)OCC1OC(n2c(N=[N+]=[N-])nc3c(N)ncnc32)C(OP(=O)(O)OC[C@@H]2OC(n3c(N=[N+]=[N-])nc4c(N)ncnc43)[C@H](O)[C@H]2O)C1OAglycone:
COP(=O)(O)O.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.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 43 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.5 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 19 |
| MolWt: | 1128.68 | Num_heavy_atoms: | 76 |
| TPSA: | 642.03 | 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 |
