Glycoside
GD104804
Name:
NoneFormula:
C24H37O8N3Smiles:
Nc1ccn([C@H]2O[C@@H](CO[C@@H]3CCCCO3)[C@@H](O[C@@H]3CCCCO3)[C@H]2O[C@@H]2CCCCO2)c(=O)n1Aglycone:
COC1CCCCO1.Nc1cc[nH]c(=O)n1.OC1CCCCO1.OC1CCCCO1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.57 | Num_heavy_atoms: | 35 |
| TPSA: | 125.52 | 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 |
AD12143
Formula: C6H12O2
Smiles:
COC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 18.46 | NumAromaticRings: | 0 |
AD12145
Formula: C5H10O2
Smiles:
OC1CCCCO1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
