Glycoside
GD001880
Name:
NoneFormula:
C16H25O10N5P2SSmiles:
C=CCCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
C=CCCCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 541.42 | Num_heavy_atoms: | 34 |
| TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00643
Formula: C11H14N5S
Smiles:
C=CCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 248.34 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
