Glycoside
GD026383
Name:
10-(6-O-Trans-Sinapoylglucopyranosyl)GardendiolFormula:
C27H34O13Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OCC3=CC[C@H]4[C@@H]3COC(=O)[C@H]4CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.O=C1OCC2C(CO)=CCC2C1COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD08938
Formula: C10H14O4
Smiles:
O=C1OCC2C(CO)=CCC2C1CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
