Glycoside
GD157973
Name:
N-(1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)hexacos-17-enamideFormula:
C56H105O13NSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 9.73 | Num_rotatable_bonds: | 45 |
| MolWt: | 1000.45 | Num_heavy_atoms: | 70 |
| TPSA: | 231.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD45381
Formula: C44H85O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 14.08 | Num_rotatable_bonds: | 39 |
| MolWt: | 676.17 | Num_heavy_atoms: | 48 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
