Glycoside
GD002629
Name:
NoneFormula:
C19H33O14N6P3S2Smiles:
CCCCSc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](CSCC[C@H](N)C(=O)O)OP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CCCCSc1ncnc2c1N=C[N]2.NC(CCSCCOP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 18 |
| MolWt: | 726.56 | Num_heavy_atoms: | 44 |
| TPSA: | 319.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD02483
Formula: C9H11N4S
Smiles:
CCCCSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.28 | Num_heavy_atoms: | 14 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD02484
Formula: C6H17O11N2P3S
Smiles:
NC(CCSCCOP(=O)(O)OP(=O)(O)NP(=O)(O)O)C(=O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 418.19 | Num_heavy_atoms: | 23 |
| TPSA: | 225.94 | NumAromaticRings: | 0 |
