Glycoside
GD156482
Name:
5-acetamido-2-({2-[(2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl)oxy]-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C33H57O24N3Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(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)COAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(O)=NCCOSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC(O)C(O)C(O)CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.88 |
| AlogP: | -7.95 | Num_rotatable_bonds: | 20 |
| MolWt: | 879.82 | Num_heavy_atoms: | 60 |
| TPSA: | 453.44 | 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 |
AD45321
Formula: C4H9O2N
Smiles:
CC(O)=NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
