Glycoside
GD118226
Name:
N-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,4,5-trihydroxyhexan-2-yl)acetamideFormula:
C34H60O25N2Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1N=C(C)OAglycone:
CC(O)=NCCOSugarmoiety:
CC(O)=NC1C(OCC(O)C(O)C(O)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.94 |
| AlogP: | -9.29 | Num_rotatable_bonds: | 18 |
| MolWt: | 896.84 | Num_heavy_atoms: | 61 |
| TPSA: | 442.47 | 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
SD05200
CC(O)=NC1C(OCC(O)C(O)C(O)OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O