Glycoside
GD120903
Name:
N-(3,4-dihydroxy-17-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecan-2-yl)-2-hydroxydocosanamideFormula:
C48H95O10NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 9.37 | Num_rotatable_bonds: | 41 |
| MolWt: | 846.28 | Num_heavy_atoms: | 59 |
| TPSA: | 192.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD46724
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.55 | Num_rotatable_bonds: | 38 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
