Glycoside
GD001925
Name:
TRIFOLIRHIZINFormula:
C22H22O10Smiles:
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:
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 136.3 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
