Glycoside
GD121758
Name:
N-(1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl)icosanamideFormula:
C50H95O13NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 7.61 | Num_rotatable_bonds: | 40 |
| MolWt: | 918.3 | Num_heavy_atoms: | 64 |
| TPSA: | 231.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD45723
Formula: C38H75O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 34 |
| MolWt: | 594.02 | Num_heavy_atoms: | 42 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
