Glycoside
GD012598
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-hydroxy-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylateFormula:
C32H48O15Smiles:
C[C@H](CO)c1cc2c(c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC2Aglycone:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 672.72 | Num_heavy_atoms: | 47 |
| TPSA: | 256.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD09486
Formula: C20H28O5
Smiles:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
