Glycoside
GD131284
Name:
N-(1-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)docosanamideFormula:
C58H109O18NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.95 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 45 |
| MolWt: | 1108.5 | Num_heavy_atoms: | 77 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD44905
Formula: C40H79O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 12.74 | Num_rotatable_bonds: | 36 |
| MolWt: | 622.08 | Num_heavy_atoms: | 44 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
