Glycoside
GD115856
Name:
N-[3-({4-[(3-acetamido-4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1,4,5,6-tetrahydroxyhexan-2-yl]acetamideFormula:
C36H63O25N3Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C2N=C(C)O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COAglycone:
CC(O)=NCCOSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC(O)C(O)C(O)CO)C3OC3OC(C)C(O)C(O)C3O)C2N=C(C)O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.92 |
| AlogP: | -8.31 | Num_rotatable_bonds: | 19 |
| MolWt: | 937.9 | Num_heavy_atoms: | 64 |
| TPSA: | 454.83 | 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 |
Sugarmoiety
SD04718
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC(O)C(O)C(O)CO)C3OC3OC(C)C(O)C(O)C3O)C2N=C(C)O)OC(CO)C(O)C1O