Glycoside
GD133631
Name:
Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-Glucosyl-(1->3)-(6''-Acetylglucoside)Formula:
C38H46O21Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(OC5OC(COC6OC(C)C(OC(C)=O)C(O)C6O)C(O)C(O)C5O)C4O)cc3o2)cc1Aglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(OC3C(O)C(O)OC(O)C3O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 838.77 | Num_heavy_atoms: | 59 |
| TPSA: | 309.26 | 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 |
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
