Glycoside
GD002864
Name:
NoneFormula:
C27H34O14N8P2SSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)nc(NCCc6ccccc6)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OC.NC(=O)c1cscn1.Nc1nc(NCCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 15 |
| MolWt: | 788.63 | Num_heavy_atoms: | 52 |
| TPSA: | 339.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
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 |
AD01695
Formula: C13H13N6
Smiles:
Nc1nc(NCCc2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
