Glycoside
GD129973
Name:
N-{3-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,4,5,6-tetrahydroxyhexan-2-yl}acetamideFormula:
C22H40O16N2Smiles:
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)COAglycone:
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: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -5.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 588.56 | Num_heavy_atoms: | 40 |
| TPSA: | 304.4 | 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 |
