Glycoside
GD123158
Name:
2-hydroxy-N-(3-hydroxy-14-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadec-4-en-2-yl)tetracosanamideFormula:
C47H91O9NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 9.78 | Num_rotatable_bonds: | 39 |
| MolWt: | 814.24 | Num_heavy_atoms: | 57 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD49683
Formula: C41H81O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C=CCCCCCCCCC(C)CC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 36 |
| MolWt: | 652.1 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
