Glycoside
GD142185
Name:
2-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]oxan-2-yl]oxy}-3,5-dimethoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-oneFormula:
C30H36O16Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OC1OC(CO)C(OC2CC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC1CC(O)C(O)C(O)C1O.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
AD46185
Formula: C7H14O4
Smiles:
CC1CC(O)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
