Glycoside
GD128370
Name:
Jaceidin 4'-GlucuronideFormula:
C24H24O14Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.44 | Num_heavy_atoms: | 38 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD51286
Formula: C18H16O8
Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
