Glycoside
GD120942
Name:
Okanin 4'-(2'',4'',6''-Triacetylglucoside)Formula:
C27H28O14Smiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)C(OC(C)=O)C(O)C1OC(C)=OAglycone:
COC(C)=O.O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 215.58 | NumAromaticRings: | 2 |
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 |
AD12625
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
