Glycoside
GD082413
Name:
NoneFormula:
C17H25O8N4Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(C3C[NH2+]C3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C1=C(C2C[NH2+]C2)N=N[N]1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.41 | Num_heavy_atoms: | 29 |
| TPSA: | 155.68 | 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 |
AD37037
Formula: C5H8N4
Smiles:
C1=C(C2C[NH2+]C2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.15 | Num_heavy_atoms: | 9 |
| TPSA: | 55.43 | NumAromaticRings: | 0 |
