Glycoside
GD026117
Name:
NoneFormula:
C17H20O8N5PSmiles:
O=P(O)(O)OC[C@@H]1OC(n2c(NCc3ccccc3)nc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1ncnc2c1N=C(NCc1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.35 | Num_heavy_atoms: | 31 |
| TPSA: | 192.31 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD14768
Formula: C12H10ON5
Smiles:
Oc1ncnc2c1N=C(NCc1ccccc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
