Glycoside
GD157659
Name:
3,15,21-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})docosanoic acidFormula:
C40H74O20Smiles:
CC(CCCCCC(CCCCCCCCCCCC(CC(=O)O)OC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CCCCCC(O)CCCCCCCCCCCC(O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.97 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 29 |
| MolWt: | 875.01 | Num_heavy_atoms: | 60 |
| TPSA: | 335.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD62314
Formula: C22H44O5
Smiles:
CC(O)CCCCCC(O)CCCCCCCCCCCC(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 20 |
| MolWt: | 388.59 | Num_heavy_atoms: | 27 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
