Glycoside
GD138668
Name:
2-(2,3-dihydroxypropoxy)-6-(1-acetamido-2-hydroxypropyl)-3,4-dihydroxy-5-(3-hydroxybutanamido)oxane-2-carboxylic acidFormula:
C18H32O12N2Smiles:
CC(O)=NC(C(C)O)C1OC(OCC(O)CO)(C(=O)O)C(O)C(O)C1N=C(O)CC(C)OAglycone:
CC(O)=NCC(C)O.CC(O)CC(=N)O.OCC(O)COSugarmoiety:
O=C(O)C1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 468.46 | Num_heavy_atoms: | 32 |
| TPSA: | 242.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD54152
Formula: C4H9O2N
Smiles:
CC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
AD55952
Formula: C5H11O2N
Smiles:
CC(O)=NCC(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
