Glycoside
GD034044
Name:
Sibiricose A6Formula:
C23H32O15Smiles:
COc1cc(C=CC(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@]2(CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.49 | Num_heavy_atoms: | 38 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
