Glycoside
GD135428
Name:
N-[5-({5-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamideFormula:
C40H68O30N2Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.95 |
| AlogP: | -11.1 | Num_rotatable_bonds: | 17 |
| MolWt: | 1056.97 | Num_heavy_atoms: | 72 |
| TPSA: | 510.62 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD07933
CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O