Glycoside
GD126629
Name:
Hemsleyanoside AFormula:
C40H42O16Smiles:
OCC1OC(c2c(O)cc(C3c4c(cc(O)c(C5OC(CO)C(O)C(O)C5O)c4O)C(=Cc4ccc(O)cc4)C3c3ccc(O)cc3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=C2c3cc(O)cc(O)c3C(c3cc(O)cc(O)c3)C2c2ccc(O)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.35 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.76 | Num_heavy_atoms: | 56 |
| TPSA: | 301.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD51253
Formula: C28H22O6
Smiles:
Oc1ccc(C=C2c3cc(O)cc(O)c3C(c3cc(O)cc(O)c3)C2c2ccc(O)cc2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 4 |
