Glycoside
GD151554
Name:
N-(3,4-dihydroxy-15-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecan-2-yl)-2-hydroxydocosanamideFormula:
C45H89O10NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 8.2 | Num_rotatable_bonds: | 38 |
| MolWt: | 804.2 | Num_heavy_atoms: | 56 |
| TPSA: | 192.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD48501
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
