Glycoside
GD031825
Name:
NoneFormula:
C19H21O7N4PSSmiles:
O=P(O)(O)OC[C@@H]1OC(n2ncc3c(SCC=Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(=Cc1ccccc1)CSc1ncnc2c1C=N[N]2.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.44 | Num_heavy_atoms: | 32 |
| TPSA: | 160.05 | 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 |
AD05689
Formula: C14H11N4S
Smiles:
C(=Cc1ccccc1)CSc1ncnc2c1C=N[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.34 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
