Glycoside
GD145858
Name:
2-({2-[(6-{[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-2-acetamido-4,5-dihydroxy-1-oxohexan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C36H59O27N3Smiles:
CC(O)=NC(C=O)C(OC1OC(CO)C(O)C(OC2(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O2)C1O)C(O)C(O)COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1Aglycone:
CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO.CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CC(O)=NC(C=O)C(OC1OC(CO)C(O)C(OO)C1O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 30 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.83 |
| AlogP: | -8.54 | Num_rotatable_bonds: | 23 |
| MolWt: | 965.86 | Num_heavy_atoms: | 66 |
| TPSA: | 507.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD44972
Formula: C11H19O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
AD50447
Formula: C11H19O8N
Smiles:
CC(O)=NC1C(O)CC(C(=O)O)OC1C(O)C(O)CO| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.27 | Num_heavy_atoms: | 20 |
| TPSA: | 160.04 | NumAromaticRings: | 0 |
