Glycoside
GD018117
Name:
NoneFormula:
C11H16O7N5PSSmiles:
Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[C@H]2O)c1=SAglycone:
Cn1c(N)nc2c(c1=S)N=C[N]2.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.32 | Num_heavy_atoms: | 25 |
| TPSA: | 178.11 | 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 |
AD12836
Formula: C6H6N5S
Smiles:
Cn1c(N)nc2c(c1=S)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 70.3 | NumAromaticRings: | 1 |
