Glycoside
GD133334
Name:
N-(1-{[5-({5-[(4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)hexacos-17-enamideFormula:
C70H128O23N2Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.91 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 52 |
| MolWt: | 1365.79 | Num_heavy_atoms: | 95 |
| TPSA: | 402.01 | 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 |
Sugarmoiety
SD04870
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C2O)OC(CO)C(O)C1O