Glycoside
GD007027
Name:
NoneFormula:
C17H21O8N2PSSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(SCCc2ccccc2)n1Aglycone:
COP(=O)(O)O.O=C1C=C[N]C(SCCc2ccccc2)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.4 | Num_heavy_atoms: | 29 |
| TPSA: | 151.34 | 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 |
AD05750
Formula: C12H11ON2S
Smiles:
O=C1C=C[N]C(SCCc2ccccc2)=N1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.3 | Num_heavy_atoms: | 16 |
| TPSA: | 43.53 | NumAromaticRings: | 1 |
