Glycoside
GD133767
Name:
Myrioside AFormula:
C46H78O18Smiles:
CC(CCC(O)C(C)(C)OC1OC(CO)C(OC2OCC(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C1O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 919.11 | Num_heavy_atoms: | 64 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54125
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
