Glycoside
GD079098
Name:
NoneFormula:
C15H20O9N4Smiles:
CC(=O)OC[C@H]1O[C@@H](c2nn[nH]n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.c1nn[nH]n1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.34 | Num_heavy_atoms: | 28 |
| TPSA: | 168.89 | 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 |
AD15876
Formula: CH2N4
Smiles:
c1nn[nH]n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.05 | Num_heavy_atoms: | 5 |
| TPSA: | 54.46 | NumAromaticRings: | 1 |
