Glycoside
GD035912
Name:
NoneFormula:
C41H73O7N3Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 9.5 | Num_rotatable_bonds: | 32 |
| MolWt: | 720.05 | Num_heavy_atoms: | 51 |
| TPSA: | 142.97 | 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
