Glycoside
GD008296
Name:
NoneFormula:
C14H17O8N2FSmiles:
CO[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(F)n1ccc(=O)[nH]c1=OAglycone:
O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1OCC(OC(C)=O)C(OC(C)=O)C1(O)FOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.29 | Num_heavy_atoms: | 25 |
| TPSA: | 125.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
