Glycoside
GD140335
Name:
Okanin 4'-(6''-Acetylglucoside)Formula:
C23H24O12Smiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 203.44 | 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 |
