Glycoside
GD007456
Name:
POLYBIOSIDEFormula:
C12H19O6N3Smiles:
N=C(CCc1c[nH]cn1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
N=C(O)CCc1c[nH]cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.3 | Num_heavy_atoms: | 21 |
| TPSA: | 151.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD06075
Formula: C6H9ON3
Smiles:
N=C(O)CCc1c[nH]cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.16 | Num_heavy_atoms: | 10 |
| TPSA: | 72.76 | NumAromaticRings: | 1 |
