Glycoside
GD136726
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}docosa-4,8,11-trien-2-yl)tetracosanamideFormula:
C64H117O18NSmiles:
CCCCCCCCCCC=CCC=CCCC=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)CCCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCC=CCC=CCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 0.89 |
| AlogP: | 8.11 | Num_rotatable_bonds: | 49 |
| MolWt: | 1188.63 | Num_heavy_atoms: | 83 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD55271
Formula: C46H87O3N
Smiles:
CCCCCCCCCCC=CCC=CCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 14.64 | Num_rotatable_bonds: | 40 |
| MolWt: | 702.21 | Num_heavy_atoms: | 50 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
