Glycoside
GD036231
Name:
ASTEBATHERIOSIDE CFormula:
C18H27O10NSmiles:
CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)c1[nH]ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.41 | Num_heavy_atoms: | 29 |
| TPSA: | 170.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD09284
Formula: C6H7O2N
Smiles:
CC(=O)c1[nH]ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
