Glycoside
GD114367
Name:
2-hydroxy-N-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl)docosanamideFormula:
C47H87O9NSmiles:
CCCCCCCC=CC(C)=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CC(C)=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: | 0.85 |
| AlogP: | 9.48 | Num_rotatable_bonds: | 37 |
| MolWt: | 810.21 | Num_heavy_atoms: | 57 |
| TPSA: | 172.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD45015
Formula: C41H77O4N
Smiles:
CCCCCCCC=CC(C)=CCCC=CC(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 11.66 | Num_rotatable_bonds: | 34 |
| MolWt: | 648.07 | Num_heavy_atoms: | 46 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
