Glycoside
GD037070
Name:
NoneFormula:
C27H38O7N6S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCSc2ccccc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCCCSc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 17 |
| MolWt: | 622.77 | Num_heavy_atoms: | 42 |
| TPSA: | 191.78 | 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 |
AD23377
Formula: C18H29O4NS2
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCCCSc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 14 |
| MolWt: | 387.57 | Num_heavy_atoms: | 25 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
