Glycoside
GD116865
Name:
(18S )-18-O-B-D-Apiofuranosyl-(1-4)-B-D-Glucopyranosideof Protoconstipatic AcidFormula:
C32H54O14Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)OC2OC(CO)C(OC3OCC(O)(CO)C3O)C(O)C2O)C1C(=O)OAglycone:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 21 |
| MolWt: | 662.77 | Num_heavy_atoms: | 46 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45041
Formula: C21H36O5
Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 15 |
| MolWt: | 368.51 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
