Glycoside
GD130041
Name:
Hemsleyanoside BFormula:
C40H42O16Smiles:
OCC1OC(c2c(O)cc(C3c4c(C=Cc5ccc(O)cc5)cc(O)c(C5OC(CO)C(O)C(O)C5O)c4OC3c3ccc(O)cc3)cc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.35 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 778.76 | Num_heavy_atoms: | 56 |
| TPSA: | 290.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD10290
Formula: C28H22O6
Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
