Glycoside
GD089395
Name:
NoneFormula:
C19H28O8N4Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc([C@H]3CCCCN3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C1=C(C2CCCCN2)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: | 2 | FractionCSP3: | 0.74 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 151.1 | 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 |
AD38998
Formula: C7H11N4
Smiles:
C1=C(C2CCCCN2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.19 | Num_heavy_atoms: | 11 |
| TPSA: | 50.85 | NumAromaticRings: | 0 |
