Glycoside
GD022221
Name:
PterosideFormula:
C21H22O8Smiles:
OC[C@@H]1O[C@H](c2c(O)ccc3cc(Cc4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Cc2cc3ccc(O)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 143.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD15092
Formula: C15H12O3
Smiles:
Oc1ccc(Cc2cc3ccc(O)cc3o2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 53.6 | NumAromaticRings: | 3 |
