Glycoside
GD130176
Name:
2-hydroxy-1,1,4a,7-tetramethyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-3-yl acetateFormula:
C28H44O10Smiles:
CC(=O)OC1CC2(C)C3CCC(C)(C(=O)COC4OC(CO)C(O)C(O)C4O)C=C3CCC2C(C)(C)C1OAglycone:
CC(=O)OC1CC2(C)C3CCC(C)(C(=O)CO)C=C3CCC2C(C)(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 540.65 | Num_heavy_atoms: | 38 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD52747
Formula: C22H34O5
Smiles:
CC(=O)OC1CC2(C)C3CCC(C)(C(=O)CO)C=C3CCC2C(C)(C)C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.51 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
