Glycoside
GD132193
Name:
2-{[3-acetamido-5-({3-acetamido-5-[(8-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(hydroxymethyl)-2-methyl-3-oxo-octahydropyrano[4,3-b][1,4]oxazin-5-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acidFormula:
C36H58O23N4Smiles:
CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(N=C(C)O)C4OC(C)C(=O)O)C(N=C(C)O)C3O)C3N=C(O)C(C)OC32)OC(CO)C(O)C1OAglycone:
CC(O)C(=O)O.CC1OC2C(O)C(CO)OC(O)C2N=C1OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O.CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.86 |
| AlogP: | -4.91 | Num_rotatable_bonds: | 16 |
| MolWt: | 914.87 | Num_heavy_atoms: | 63 |
| TPSA: | 412.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD53513
Formula: C9H15O6N
Smiles:
CC1OC2C(O)C(CO)OC(O)C2N=C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 233.22 | Num_heavy_atoms: | 16 |
| TPSA: | 111.74 | NumAromaticRings: | 0 |
