Glycoside
GD117570
Name:
N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octadec-4-en-2-yl)hexadecanamideFormula:
C52H97O18NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 39 |
| MolWt: | 1024.34 | Num_heavy_atoms: | 71 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD46413
Formula: C34H67O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 30 |
| MolWt: | 537.91 | Num_heavy_atoms: | 38 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
