Glycoside
GD001091
Name:
NoneFormula:
C16H21O8N2FSmiles:
CO[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(F)CCn1ccc(=O)[nH]c1=OAglycone:
CCn1ccc(=O)[nH]c1=OSugarmoiety:
COC1OCC(OC(C)=O)C(OC(C)=O)C1(O)FOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.35 | Num_heavy_atoms: | 27 |
| TPSA: | 125.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD01138
Formula: C6H8O2N2
Smiles:
CCn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
