Glycoside
GD020141
Name:
NoneFormula:
C10H14O10N4P2Smiles:
O=P(O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.19 | Num_heavy_atoms: | 26 |
| TPSA: | 206.58 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
