Glycoside
GD122543
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-dihydroxyhexadecan-2-yl)-2-hydroxydocosanamideFormula:
C50H97O15NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCSugarmoiety:
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: | 5.78 | Num_rotatable_bonds: | 41 |
| MolWt: | 952.32 | Num_heavy_atoms: | 66 |
| TPSA: | 271.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45101
Formula: C38H77O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.13 | Num_rotatable_bonds: | 35 |
| MolWt: | 628.04 | Num_heavy_atoms: | 44 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
