Glycoside
GD003230
Name:
SteviolbiosideFormula:
C32H49O13Smiles:
C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)[O-])CCC[C@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CCC1(O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 641.73 | Num_heavy_atoms: | 45 |
| TPSA: | 218.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD02946
Formula: C20H29O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)[O-])CCCC4(C)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 317.45 | Num_heavy_atoms: | 23 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
