Glycoside
GD033256
Name:
NoneFormula:
C22H29O14N7P2SSmiles:
CC1(C)O[C@@H]2C(c3nc(C(N)=O)cs3)OC(COP(=O)(O)OP(=O)(O)OC[C@@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H]2O1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC(c2nc(C(N)=O)cs2)C2OC(C)(C)OC12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 709.52 | Num_heavy_atoms: | 46 |
| TPSA: | 305.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21240
Formula: C13H20O11N2P2S
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC(c2nc(C(N)=O)cs2)C2OC(C)(C)OC12| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.32 | Num_heavy_atoms: | 29 |
| TPSA: | 185.96 | NumAromaticRings: | 1 |
