Glycoside
GD009585
Name:
NoneFormula:
C33H44O18N15P3S3Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(S)OCC(COP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)OP(=O)(S)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)OCC(COP(=O)(S)OC)OP(=O)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 20 |
| MolWt: | 1127.92 | Num_heavy_atoms: | 72 |
| TPSA: | 464.52 | NumAromaticRings: | 6 |
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 |
AD07503
Formula: C6H17O9P3S3
Smiles:
COP(=O)(S)OCC(COP(=O)(S)OC)OP(=O)(S)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.32 | Num_heavy_atoms: | 21 |
| TPSA: | 106.59 | NumAromaticRings: | 0 |
