Glycoside
GD015391
Name:
NoneFormula:
C15H19O9N3Smiles:
COC(=O)c1ncn(C2OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)n1Aglycone:
COC(=O)C1=N[N]C=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.33 | Num_heavy_atoms: | 27 |
| TPSA: | 145.14 | 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 |
AD11190
Formula: C4H4O2N3
Smiles:
COC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.1 | Num_heavy_atoms: | 9 |
| TPSA: | 65.12 | NumAromaticRings: | 0 |
