Glycoside
GD032251
Name:
NoneFormula:
C27H40O7N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NCCCCCCCCCCCOc2ccccc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NCCCCCCCCCCCOc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 592.72 | Num_heavy_atoms: | 41 |
| TPSA: | 183.94 | 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 |
AD20698
Formula: C18H31O4NS
Smiles:
COS(=O)(=O)NCCCCCCCCCCCOc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 15 |
| MolWt: | 357.52 | Num_heavy_atoms: | 24 |
| TPSA: | 64.63 | NumAromaticRings: | 1 |
