Glycoside
GD026750
Name:
NoneFormula:
C25H44O14N4Smiles:
CC(=O)NC(CO)C(OC(CO)CO)OC1C(CO)OC(OC2C(O)C3N=C(N(C)C)OC3C2CO)C(NC(C)=O)C1OAglycone:
CC(=O)NC(CO)C(O)OC(CO)CO.CN(C)C1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
CC(=O)NC(O)C(O)OOCO.OCC(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -5.8 | Num_rotatable_bonds: | 14 |
| MolWt: | 624.64 | Num_heavy_atoms: | 43 |
| TPSA: | 261.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
AD17620
Formula: C8H17O6N
Smiles:
CC(=O)NC(CO)C(O)OC(CO)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 223.22 | Num_heavy_atoms: | 15 |
| TPSA: | 119.25 | NumAromaticRings: | 0 |
