Glycoside
GD127042
Name:
Di-6''-(Acacetin-7-Glucosyl)MalonateFormula:
C47H44O22Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)OCC5OC(Oc6cc(O)c7c(=O)cc(-c8ccc(OC)cc8)oc7c6)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COC(=O)CC(=O)OC.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 960.85 | Num_heavy_atoms: | 69 |
| TPSA: | 330.24 | NumAromaticRings: | 6 |
Unique Aglycone
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 |
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
