Glycoside
GD151972
Name:
2-({2-[(6-{[3,4-dihydroxy-2-(2-hydroxydocosanamido)nonadecyl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C64H120O23N2Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCCAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 51 |
| MolWt: | 1285.66 | Num_heavy_atoms: | 89 |
| TPSA: | 420.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD44972
Formula: C11H19O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
AD48577
Formula: C41H83O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.3 | Num_rotatable_bonds: | 38 |
| MolWt: | 670.12 | Num_heavy_atoms: | 47 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
