Glycoside
GD123882
Name:
N-{3-[(4-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,4,5,6-tetrahydroxyhexan-2-yl}acetamideFormula:
C28H50O21N2Smiles:
CC(O)=NC(CO)C(OC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)C1O)C(O)C(O)COAglycone:
CC(O)=NCCOSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(O)C(O)C(O)CO)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.93 |
| AlogP: | -8.14 | Num_rotatable_bonds: | 16 |
| MolWt: | 750.7 | Num_heavy_atoms: | 51 |
| TPSA: | 383.55 | 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 |
