Glycoside
GD005909
Name:
NoneFormula:
C16H17O8N4PSSmiles:
O=P(O)(O)OC[C@@H]1OC(n2c(Sc3ccccc3)nc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Oc1ncnc2c1N=C(Sc1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.37 | Num_heavy_atoms: | 30 |
| TPSA: | 180.28 | 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 |
AD04950
Formula: C11H7ON4S
Smiles:
Oc1ncnc2c1N=C(Sc1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.27 | Num_heavy_atoms: | 17 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
