Glycoside
GD143955
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,7-dihydroxy-8-(1-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylateFormula:
C26H38O10Smiles:
CC(CO)c1c(O)ccc2c1CCC1C(C)(C(=O)OC3OC(CO)C(O)C(O)C3O)CC(O)CC21CAglycone:
CC(CO)c1c(O)ccc2c1CCC1C(C)(C(=O)O)CC(O)CC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD57879
Formula: C20H28O5
Smiles:
CC(CO)c1c(O)ccc2c1CCC1C(C)(C(=O)O)CC(O)CC21C| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
