Glycoside
GD006820
Name:
NoneFormula:
C15H26O13N7P3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(CP(=O)(O)OP(=O)(O)NP(=O)(O)O)SCCC(N)C(=O)O)[C@H](O)[C@H]1OAglycone:
NC(CCSCCP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.6 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 637.4 | Num_heavy_atoms: | 39 |
| TPSA: | 336.02 | NumAromaticRings: | 2 |
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 |
AD05603
Formula: C6H17O10N2P3S
Smiles:
NC(CCSCCP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 402.2 | Num_heavy_atoms: | 22 |
| TPSA: | 216.71 | NumAromaticRings: | 0 |
