Glycoside
GD096362
Name:
NoneFormula:
C21H32O7N5Smiles:
CC(C)(C)OC(=O)N1CC[C@](O)(CNc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1Aglycone:
CC(C)(C)OC(=O)N1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.52 | Num_heavy_atoms: | 33 |
| TPSA: | 163.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD40984
Formula: C16H23O3N5
Smiles:
CC(C)(C)OC(=O)N1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.39 | Num_heavy_atoms: | 24 |
| TPSA: | 102.93 | NumAromaticRings: | 1 |
