Glycoside
GD035357
Name:
Trifolirhizin 6'-MonoacetateFormula:
C24H24O11Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 142.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD01872
Formula: C16H12O5
Smiles:
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
