Glycoside
GD116641
Name:
methyl 3,15,21-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})docosanoateFormula:
C41H76O20Smiles:
COC(=O)CC(CCCCCCCCCCCC(CCCCCC(C)OC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC(O)CCCCCCCCCCCC(O)CCCCCC(C)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: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 29 |
| MolWt: | 889.04 | Num_heavy_atoms: | 61 |
| TPSA: | 324.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46360
Formula: C23H46O5
Smiles:
COC(=O)CC(O)CCCCCCCCCCCC(O)CCCCCC(C)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 402.62 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
