Glycoside
GD128986
Name:
kirilowin bFormula:
C15H24O13N2Smiles:
C=CC(=O)OC1C(O)OC(COC(=O)CCN(O)O)C(O)C1OC(=O)CCN(O)OAglycone:
C=CC(=O)O.COC(=O)CCN(O)O.O=C(O)CCN(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.36 | Num_heavy_atoms: | 30 |
| TPSA: | 215.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD24857
Formula: C3H4O2
Smiles:
C=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.06 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD47138
Formula: C3H7O4N
Smiles:
O=C(O)CCN(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 121.09 | Num_heavy_atoms: | 8 |
| TPSA: | 81.0 | NumAromaticRings: | 0 |
AD52248
Formula: C4H9O4N
Smiles:
COC(=O)CCN(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.12 | Num_heavy_atoms: | 9 |
| TPSA: | 70.0 | NumAromaticRings: | 0 |
