Glycoside
GD130717
Name:
N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octadec-6-en-2-yl)-2-hydroxydocosanamideFormula:
C52H99O15NSmiles:
CCCCCCCCCCCC=CCC(O)C(O)C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCC=CCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 42 |
| MolWt: | 978.36 | Num_heavy_atoms: | 68 |
| TPSA: | 271.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD50613
Formula: C40H79O5N
Smiles:
CCCCCCCCCCCC=CCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 10.69 | Num_rotatable_bonds: | 36 |
| MolWt: | 654.07 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
