Glycoside
GD028747
Name:
NoneFormula:
C30H38O18N7P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)OC[C@@H]2O[C@H](N3C=C[C@@H]4C(=C3)C(=O)NC(O)C4Cc3ccccc3)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2.O=C1NC(O)C(Cc2ccccc2)C2C=CNC=C12Sugarmoiety:
OC1OC(O)C(O)O1.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.47 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 877.59 | Num_heavy_atoms: | 58 |
| TPSA: | 370.39 | NumAromaticRings: | 3 |
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 |
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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD18749
Formula: C15H16O2N2
Smiles:
O=C1NC(O)C(Cc2ccccc2)C2C=CNC=C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.31 | Num_heavy_atoms: | 19 |
| TPSA: | 61.36 | NumAromaticRings: | 1 |
