Glycoside
GD139715
Name:
Keyakinin BFormula:
C22H22O12Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD01092
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
