Glycoside
GD070923
Name:
NoneFormula:
C16H20O8N4Smiles:
CC(=O)OC[C@@H]1OC[C@](OC(C)=O)(N2C=N[C@@H]3C(=O)NC=N[C@H]32)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1NC=NC2NC=NC12Sugarmoiety:
CC(=O)OC1C(O)OCC1(O)OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.36 | Num_heavy_atoms: | 28 |
| TPSA: | 145.19 | NumAromaticRings: | 0 |
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 |
AD08279
Formula: C5H6ON4
Smiles:
O=C1NC=NC2NC=NC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.85 | NumAromaticRings: | 0 |
