Glycoside
GD019364
Name:
2-{[4-hydroxy-2-(1-hydroxypropan-2-yl)-4b,8,8-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H50O14Smiles:
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)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]1CC2Aglycone:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 239.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD13528
Formula: C20H30O4
Smiles:
CC(CO)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
