Glycoside
GD115047
Name:
SpeedosideFormula:
C30H38O18Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12Aglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -4.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.62 | Num_heavy_atoms: | 48 |
| TPSA: | 287.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD13446
Formula: C18H18O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 128.98 | NumAromaticRings: | 1 |
