Glycoside
GD157882
Name:
N-[3-hydroxy-1-({3,4,6-trihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)octadec-4-en-2-yl]octadec-9-enamideFormula:
C46H85O13NSmiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(COC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 35 |
| MolWt: | 860.18 | Num_heavy_atoms: | 60 |
| TPSA: | 231.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD46223
Formula: C36H69O3N
Smiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 10.96 | Num_rotatable_bonds: | 31 |
| MolWt: | 563.95 | Num_heavy_atoms: | 40 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
