Glycoside
GD151277
Name:
2-({6-[(3,4-dihydroxy-15-methyl-2-octadecanamidohexadecyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-4-hydroxy-5-(2-hydroxyacetamido)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C52H98O18N2Smiles:
CCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C.COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 42 |
| MolWt: | 1039.35 | Num_heavy_atoms: | 72 |
| TPSA: | 341.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD46136
Formula: C12H21O10N
Smiles:
COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 339.3 | Num_heavy_atoms: | 23 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
AD49146
Formula: C35H71O4N
Smiles:
CCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 9.84 | Num_rotatable_bonds: | 31 |
| MolWt: | 569.96 | Num_heavy_atoms: | 40 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
