Glycoside
GD145381
Name:
5-acetamido-2-({5-acetamido-4-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2,3,6-trihydroxyhexyl}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(O)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)=NCCOSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC(O)C(O)C(O)COO)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
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 |
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 |
