Glycoside
GD027253
Name:
NoneFormula:
C17H18O10N5PSmiles:
O=C(NOP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1O)c1cccc(O)c1OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)ONC(=O)c1cccc(O)c1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 483.33 | Num_heavy_atoms: | 33 |
| TPSA: | 218.61 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD17930
Formula: C8H10O7NP
Smiles:
COP(=O)(O)ONC(=O)c1cccc(O)c1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.14 | Num_heavy_atoms: | 17 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
