Glycoside
GD104315
Name:
NoneFormula:
C21H31O8N3Smiles:
CCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCCAglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 453.49 | Num_heavy_atoms: | 32 |
| TPSA: | 149.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
