Glycoside
GD031729
Name:
NoneFormula:
C27H39O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)NC(=O)CCCCCCCCCCOc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 17 |
| MolWt: | 605.72 | Num_heavy_atoms: | 42 |
| TPSA: | 203.81 | 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 |
AD20423
Formula: C18H30O4N2S
Smiles:
CNS(=O)(=O)NC(=O)CCCCCCCCCCOc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 370.52 | Num_heavy_atoms: | 25 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
