Glycoside
GD054155
Name:
NoneFormula:
C13H21O7N3Smiles:
COCCn1ccnc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COCCn1ccnc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 331.32 | Num_heavy_atoms: | 23 |
| TPSA: | 146.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD27603
Formula: C7H11O2N3
Smiles:
COCCn1ccnc1C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 169.18 | Num_heavy_atoms: | 12 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
