Glycoside
GD115022
Name:
N-[2-({3,5-dihydroxy-2-[({4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)methyl]-6-({4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl}oxy)oxan-4-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acidFormula:
C48H81O36N3Smiles:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 39 | RingCount: | 7 |
| HBD: | 23 | FractionCSP3: | 0.94 |
| AlogP: | -13.32 | Num_rotatable_bonds: | 22 |
| MolWt: | 1276.16 | Num_heavy_atoms: | 87 |
| TPSA: | 622.36 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD04519
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(N=C(C)O)C3O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O