Glycoside
GD138608
Name:
Trillenoside BFormula:
C42H62O20Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C45C)C3C2CO)C(O)C1OAglycone:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 886.94 | Num_heavy_atoms: | 62 |
| TPSA: | 313.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD48038
Formula: C26H36O8
Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.57 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
