Glycoside
GD097382
Name:
NoneFormula:
C21H31O8N3Smiles:
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1c1cccnc1Aglycone:
CC(C)(C)OC(=O)N1CCC(C(N)=O)C1c1cccnc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.49 | Num_heavy_atoms: | 32 |
| TPSA: | 161.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD41405
Formula: C15H21O3N3
Smiles:
CC(C)(C)OC(=O)N1CCC(C(N)=O)C1c1cccnc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.35 | Num_heavy_atoms: | 21 |
| TPSA: | 85.52 | NumAromaticRings: | 1 |
