Glycoside
GD058901
Name:
NoneFormula:
C14H21O6N3Smiles:
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1OAglycone:
COC(=O)C(C)(C)C.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| 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 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
