Glycoside
GD026119
Name:
CentaureinFormula:
C24H26O13Smiles:
COc1ccc(-c2oc3cc(O[C@@H]4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2OC)cc1OAglycone:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.46 | Num_heavy_atoms: | 37 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD06660
Formula: C18H16O8
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O| 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 |
