Glycoside
GD028333
Name:
LIGUROBUSTOSIDE NFormula:
C35H46O18Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](OCCc3ccc(O)cc3)O[C@H](CO)[C@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)C(O)OC(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 754.74 | Num_heavy_atoms: | 53 |
| TPSA: | 283.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
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 |
