Glycoside
GD153766
Name:
Casticin 3'-GlucosideFormula:
C25H28O13Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD61126
Formula: C19H18O8
Smiles:
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
