Glycoside
GD021496
Name:
NoneFormula:
C37H50O16Smiles:
COc1cc(OC)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H](OC)[C@H]3OC)c(-c3ccc(OC)c(OC)c3)oc2c1Aglycone:
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1Sugarmoiety:
COC1C(C)OC(OCC2OC(O)C(OC)C(OC)C2OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 750.79 | Num_heavy_atoms: | 53 |
| TPSA: | 159.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD14696
Formula: C19H18O7
Smiles:
COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
