Glycoside
GD157334
Name:
Albinosinic_Acid_BFormula:
C44H78O23Smiles:
CCCC(CCCCCCCCCC(=O)O)OC1OC(C)C(O)C(O)C1OC1(O)OCC(C)C(OC2OC(C)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C1OAglycone:
CCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1COC(O)(OC2C(O)OC(C)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 22 |
| MolWt: | 975.09 | Num_heavy_atoms: | 67 |
| TPSA: | 352.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD06792
Formula: C14H28O3
Smiles:
CCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD10568
CC1COC(O)(OC2C(O)OC(C)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O