Glycoside
GD133075
Name:
5-acetamido-6-({11-acetamido-5,9-dimethyl-3-oxo-6,8-dioxa-2-azabicyclo[5.2.2]undecan-10-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C20H31O11N3Smiles:
CC(O)=NC1C(OC2C3N=C(O)CC(C)OC(OC3C)C2N=C(C)O)OC(C(=O)O)C(O)C1OAglycone:
CC(O)=NC1C2OC(C)CC(O)=NC(C(C)O2)C1OSugarmoiety:
CC(O)=NC1C(O)OC(C(=O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.48 | Num_heavy_atoms: | 34 |
| TPSA: | 212.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53868
Formula: C12H20O5N2
Smiles:
CC(O)=NC1C2OC(C)CC(O)=NC(C(C)O2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 103.87 | NumAromaticRings: | 0 |
