Glycoside
GD095300
Name:
NoneFormula:
C21H31O9N3Smiles:
CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncccc2C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1Aglycone:
CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C(N)=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.49 | Num_heavy_atoms: | 33 |
| TPSA: | 170.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD40671
Formula: C15H21O4N3
Smiles:
CC(C)(C)OC(=O)N1CCC(Oc2ncccc2C(N)=O)C1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 22 |
| TPSA: | 94.75 | NumAromaticRings: | 1 |
