Glycoside
GD124891
Name:
N-(1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-14-methylhexadecan-2-yl)-2-hydroxydocosanamideFormula:
C51H99O15NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCC(C)CCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 41 |
| MolWt: | 966.34 | Num_heavy_atoms: | 67 |
| TPSA: | 271.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD50488
Formula: C39H79O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 35 |
| MolWt: | 642.06 | Num_heavy_atoms: | 45 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
