Glycoside
GD154193
Name:
N-{1-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxyoctadec-4-en-2-yl}octadec-9-enamideFormula:
C54H99O18NSmiles:
CCCCCCCCC=CCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 40 |
| MolWt: | 1050.38 | Num_heavy_atoms: | 73 |
| TPSA: | 310.5 | 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 |
