Glycoside
GD032255
Name:
NoneFormula:
C37H52O22Smiles:
CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@@H](CO)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O.OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 848.8 | Num_heavy_atoms: | 59 |
| TPSA: | 339.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD03515
Formula: C11H14O6
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
