Glycoside
GD120833
Name:
Deoxytrillenoside AFormula:
C47H70O23Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(OC7OCC(O)(CO)C7O)C6O)C45C)C3C2C)C(O)C1OAglycone:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 1003.05 | Num_heavy_atoms: | 70 |
| TPSA: | 352.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48585
Formula: C26H36O7
Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2C)C(O)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
