Glycoside
GD028189
Name:
NoneFormula:
C29H32O18Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCC(=O)O)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.56 | Num_heavy_atoms: | 47 |
| TPSA: | 295.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD18452
Formula: C17H12O9
Smiles:
O=C(O)COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.27 | Num_heavy_atoms: | 26 |
| TPSA: | 157.66 | NumAromaticRings: | 3 |
