Glycoside
GD081051
Name:
NoneFormula:
C16H21O10N3Smiles:
COC(=O)c1cn([C@H]2[C@@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1Aglycone:
COC(=O)C1=C[N]N=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.36 | Num_heavy_atoms: | 29 |
| TPSA: | 165.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD08880
Formula: C4H4O2N3
Smiles:
COC(=O)C1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.1 | Num_heavy_atoms: | 9 |
| TPSA: | 65.12 | NumAromaticRings: | 0 |
