Glycoside
GD110271
Name:
NoneFormula:
C25H37O9N3Smiles:
CCCC(=O)Nc1ccn([C@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]2OC(=O)CCC)c(=O)n1Aglycone:
CCCC(=O)Nc1cc[nH]c(=O)n1.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OCSugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 523.58 | Num_heavy_atoms: | 37 |
| TPSA: | 152.12 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD44627
Formula: C8H11O2N3
Smiles:
CCCC(=O)Nc1cc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 74.85 | NumAromaticRings: | 1 |
