Glycoside
GD020085
Name:
NoneFormula:
C22H29O13N7F2P2SSmiles:
CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)OC[C@@H]4O[C@H](c5nc(C(N)=O)cs5)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCc1nc(N)c2c(n1)[N]C=N2.COP(=O)(O)C(F)(F)P(=O)(O)OC.NC(=O)c1cscn1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 731.52 | Num_heavy_atoms: | 47 |
| TPSA: | 318.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00051
Formula: C4H4ON2S
Smiles:
NC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
AD04985
Formula: C7H8N5
Smiles:
CCc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13924
Formula: C3H8O6F2P2
Smiles:
COP(=O)(O)C(F)(F)P(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.03 | Num_heavy_atoms: | 13 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
