Glycoside
GD121176
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}nonadec-4-en-2-yl)hexadecanamideFormula:
C53H99O18NSmiles:
CCCCCCCCCCCCCCC=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:
CCCCCCCCCCCCCCC=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: | 4.27 | Num_rotatable_bonds: | 40 |
| MolWt: | 1038.36 | Num_heavy_atoms: | 72 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD48749
Formula: C35H69O3N
Smiles:
CCCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 10.79 | Num_rotatable_bonds: | 31 |
| MolWt: | 551.94 | Num_heavy_atoms: | 39 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
