Glycoside
GD039657
Name:
2-methylthio-n6-isopentenyl-adenosine-5'-monophosphateFormula:
C16H24O7N5PSSmiles:
CSc1nc(NCC=C(C)C)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)O.CSc1nc2c(c(NCC=C(C)C)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.44 | Num_heavy_atoms: | 30 |
| TPSA: | 172.08 | 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 |
AD24492
Formula: C11H14N5S
Smiles:
CSc1nc2c(c(NCC=C(C)C)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.34 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
