Glycoside
GD012661
Name:
Diosmetin-7-O-Beta-D-Glucopyranosyl-(1-2)-6-O-Acetyl-Beta-D-Glucopyranosy+Formula:
C42H54O26Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1OAglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.62 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 974.87 | Num_heavy_atoms: | 68 |
| TPSA: | 402.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
