Glycoside
GD121732
Name:
Diosmetin 7-Apiosyl-(1->2)-(6''-Acetylglucoside)Formula:
C29H32O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3o2)cc1OAglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
OCC1(O)COC(OC2C(O)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 244.27 | 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 |
