Glycoside
GD124688
Name:
2-{[6-(dodecyloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C29H53O14NSmiles:
CCCCCCCCCCCCOC1OC(CO)C(OC2(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C1OAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 20 |
| MolWt: | 639.74 | Num_heavy_atoms: | 44 |
| TPSA: | 248.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00833
Formula: C12H26O
Smiles:
CCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 186.34 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
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 |
