Glycoside
GD024062
Name:
NoneFormula:
C16H26O12N2Smiles:
O=c1ccn(C[C@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Cn1ccc(=O)[nH]c1=OSugarmoiety:
OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -6.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.39 | Num_heavy_atoms: | 30 |
| TPSA: | 235.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD00607
Formula: C5H6O2N2
Smiles:
Cn1ccc(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
