Glycoside
GD125654
Name:
Bockioside AFormula:
C21H22O11Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(CO)occc2=O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1ccoc(CO)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 176.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD50095
Formula: C6H6O4
Smiles:
O=c1ccoc(CO)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
