Glycoside
GD096301
Name:
NoneFormula:
C20H29O8N5SSmiles:
CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1Aglycone:
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ncnc3c2C=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.55 | Num_heavy_atoms: | 34 |
| TPSA: | 176.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD40955
Formula: C15H20O4N5S
Smiles:
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ncnc3c2C=C[N]3)C1| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.42 | Num_heavy_atoms: | 25 |
| TPSA: | 115.59 | NumAromaticRings: | 1 |
