Glycoside
GD030098
Name:
NoneFormula:
C31H55O6N3Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCCCCC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 23 |
| MolWt: | 565.8 | Num_heavy_atoms: | 40 |
| TPSA: | 136.9 | 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 |
AD02664
Formula: C22H44O2
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 340.59 | Num_heavy_atoms: | 24 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
