Glycoside
GD122665
Name:
6-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0â´,â¸.0¹â´,¹â¹]henicosa-3,8,10,14(19),15,17-hexaen-12-oneFormula:
C29H34O13Smiles:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(O)COC1OC(CO)C(O)C(O)C1O)O4Aglycone:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(O)CO)O4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.58 | Num_heavy_atoms: | 42 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD49451
Formula: C23H24O8
Smiles:
COc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(O)CO)O4| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.44 | Num_heavy_atoms: | 31 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
