Glycoside

GD012196
Name:
DIANDRAFLAVONE AFormula:
C28H32O12Smiles:
COc1cc2oc(-c3ccc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1Aglycone:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1C1CC(O)C(O)C(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.46 |
AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
MolWt: | 560.55 | Num_heavy_atoms: | 40 |
TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD09210
Formula: C22H22O7
Smiles:
COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1C1CC(O)C(O)C(C)O1HBA: | 7 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.32 |
AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
MolWt: | 398.41 | Num_heavy_atoms: | 29 |
TPSA: | 109.36 | NumAromaticRings: | 3 |