Glycoside
GD033858
Name:
NoneFormula:
C19H25O6N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc(-c3cccc(C)c3)nc(N)n2)[C@H]1OAglycone:
Cc1cccc(-c2cc(CO)nc(N)n2)c1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.42 | Num_heavy_atoms: | 28 |
| TPSA: | 140.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD21584
Formula: C12H13ON3
Smiles:
Cc1cccc(-c2cc(CO)nc(N)n2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.26 | Num_heavy_atoms: | 16 |
| TPSA: | 72.03 | NumAromaticRings: | 2 |
