Glycoside
GD029910
Name:
Baenzigeroside BFormula:
C27H38O12Smiles:
COC(=O)[C@@H]1O[C@@H]2C[C@@]1(C)C(CCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)C[C@H](c3ccoc3)OC(=O)[C@H]21Aglycone:
COC(=O)C1OC2CC1(C)C(CCCO)C1(C)CC(c3ccoc3)OC(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.59 | Num_heavy_atoms: | 39 |
| TPSA: | 174.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD19403
Formula: C21H28O7
Smiles:
COC(=O)C1OC2CC1(C)C(CCCO)C1(C)CC(c3ccoc3)OC(=O)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 95.2 | NumAromaticRings: | 1 |
