Glycoside
GD122161
Name:
N-(1,4,5,6-tetrahydroxy-3-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}hexan-2-yl)acetamideFormula:
C26H47O20NSmiles:
CC(O)=NC(CO)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)C(O)C(O)COAglycone:
CC(O)=NCCOSugarmoiety:
CC1OC(OC2C(OC(O)C(O)C(O)CO)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -8.1 | Num_rotatable_bonds: | 14 |
| MolWt: | 693.65 | Num_heavy_atoms: | 47 |
| TPSA: | 350.96 | 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 |
