Glycoside
GD013219
Name:
NoneFormula:
C15H22O7N4Smiles:
CC(C)[C@H](COC=O)NC(=O)[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CC(C)C(COC=O)NC=O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.36 | Num_heavy_atoms: | 26 |
| TPSA: | 166.0 | 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 |
AD09892
Formula: C7H13O3N
Smiles:
CC(C)C(COC=O)NC=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 159.19 | Num_heavy_atoms: | 11 |
| TPSA: | 55.4 | NumAromaticRings: | 0 |
