Glycoside
GD156958
Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-phenoxyoxan-2-yl]oxy}methyl)-3-[(3,7-dimethyloctyl)oxy]-4,5-dihydroxyoxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C35H50O15Smiles:
CC(C)CCCC(C)CCOC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC(COC2OC(CO)C(Oc3ccccc3)C(O)C2O)C(O)C1OAglycone:
CC(C)CCCC(C)CCO.O=C(O)c1cc(O)c(O)c(O)c1.Oc1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 16 |
| MolWt: | 710.77 | Num_heavy_atoms: | 50 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD62098
Formula: C10H22O
Smiles:
CC(C)CCCC(C)CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 158.28 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
