Glycoside
GD008023
Name:
NoneFormula:
C14H16O7N3PS2Smiles:
CSc1ncnc2c1c1sccc1n2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.CSc1ncnc2c1-c1sccc1[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.4 | Num_heavy_atoms: | 27 |
| TPSA: | 147.16 | 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 |
AD06458
Formula: C9H6N3S2
Smiles:
CSc1ncnc2c1-c1sccc1[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.3 | Num_heavy_atoms: | 14 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
