Glycoside
GD141562
Name:
Isorhamnetin 3-(6''-Malonylglucoside)Formula:
C25H24O15Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CC(=O)O.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.45 | Num_heavy_atoms: | 40 |
| TPSA: | 242.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
