Glycoside
GD120974
Name:
2,27-diamino-3,26-dihydroxy-28-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octacosan-11-oneFormula:
C34H68O9N2Smiles:
CC(N)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCCC(O)C(N)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(N)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCCC(O)C(N)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 29 |
| MolWt: | 648.92 | Num_heavy_atoms: | 45 |
| TPSA: | 208.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD14007
Formula: C28H58O4N2
Smiles:
CC(N)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCCC(O)C(N)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 26 |
| MolWt: | 486.78 | Num_heavy_atoms: | 34 |
| TPSA: | 129.8 | NumAromaticRings: | 0 |
