Glycoside
GD116278
Name:
2-[(3,21-dihydroxy-20-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosan-2-yl)amino]acetic acidFormula:
C30H59O10NSmiles:
CC(O)C(CCCCCCCCCCCCCCCCC(O)C(C)NCC(=O)O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C(O)CCCCCCCCCCCCCCCCC(O)C(C)NCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 25 |
| MolWt: | 593.8 | Num_heavy_atoms: | 41 |
| TPSA: | 189.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD46142
Formula: C24H49O5N
Smiles:
CC(O)C(O)CCCCCCCCCCCCCCCCC(O)C(C)NCC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 22 |
| MolWt: | 431.66 | Num_heavy_atoms: | 30 |
| TPSA: | 110.02 | NumAromaticRings: | 0 |
