Glycoside
GD114192
Name:
2-hydroxy-N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)docosanamideFormula:
C46H87O9NSmiles:
CCCCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 9.31 | Num_rotatable_bonds: | 38 |
| MolWt: | 798.2 | Num_heavy_atoms: | 56 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD44889
Formula: C40H77O4N
Smiles:
CCCCCCCCCC=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 11.49 | Num_rotatable_bonds: | 35 |
| MolWt: | 636.06 | Num_heavy_atoms: | 45 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
