Glycoside
GD038314
Name:
2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphateFormula:
C18H33O16N4P3SSmiles:
C=C1C(CCOP(=O)(O)OP(=O)(O)O)SC([C@](O)(CO)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)N1Cc1cnc(C)nc1NAglycone:
C=C1C(CCOP(=O)(O)OP(=O)(O)O)SCN1Cc1cnc(C)nc1NSugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)C(O)(O)COOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 16 |
| MolWt: | 686.46 | Num_heavy_atoms: | 42 |
| TPSA: | 336.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD23964
Formula: C12H20O7N4P2S
Smiles:
C=C1C(CCOP(=O)(O)OP(=O)(O)O)SCN1Cc1cnc(C)nc1N| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.33 | Num_heavy_atoms: | 26 |
| TPSA: | 168.33 | NumAromaticRings: | 1 |
