Glycoside
GD018228
Name:
NoneFormula:
C15H21O7N5PSISmiles:
Nc1nc(SCCCC=CI)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.Nc1nc(SCCCC=CI)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 573.31 | Num_heavy_atoms: | 30 |
| TPSA: | 186.07 | NumAromaticRings: | 2 |
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 |
AD01169
Formula: C10H11N5SI
Smiles:
Nc1nc(SCCCC=CI)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.2 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
