Glycoside
GD036260
Name:
NoneFormula:
C29H36O13Smiles:
O=C(CC=Cc1ccc(O)cc1)OC[C@]1(O)CO[C@H](O[C@H]2[C@H](OCCc3ccc(O)cc3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)CC=Cc1ccc(O)cc1.OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 592.59 | Num_heavy_atoms: | 42 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD22889
Formula: C11H12O3
Smiles:
COC(=O)CC=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
