Glycoside
GD032683
Name:
NoneFormula:
C23H32O8N6SSmiles:
CCCCNc1nc(SCCC)nc2c1ncn2[C@@H]1O[C@H](C=CC(=O)N[C@H](CC(=O)O)C(=O)O)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NC(CC(=O)O)C(=O)O.CCCCNc1nc(SCCC)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 14 |
| MolWt: | 552.61 | Num_heavy_atoms: | 38 |
| TPSA: | 209.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD10816
Formula: C7H9O5N
Smiles:
C=CC(=O)NC(CC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 187.15 | Num_heavy_atoms: | 13 |
| TPSA: | 103.7 | NumAromaticRings: | 0 |
AD20923
Formula: C12H18N5S
Smiles:
CCCCNc1nc(SCCC)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 264.38 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
