Glycoside
GD127405
Name:
Kunzeaphlogin EFormula:
C32H42O18Smiles:
CCC(C)C(=O)c1c(O)c(C)c(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c(C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1O.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 302.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD46224
Formula: C13H18O4
Smiles:
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
