Glycoside
GD018607
Name:
NoneFormula:
C18H30O19N5P3Smiles:
CNc1nc(OC)nc2c1ncn2C1O[C@H](CO)[C@H](O[C@@H]2OC(CO)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)OAglycone:
CNc1nc(OC)nc2c1N=C[N]2.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 713.38 | Num_heavy_atoms: | 45 |
| TPSA: | 353.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD13095
Formula: C7H8ON5
Smiles:
CNc1nc(OC)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.18 | Num_heavy_atoms: | 13 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
