Glycoside
GD127798
Name:
2-[(4-hydroxy-6,8-dimethyl-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H38O14Smiles:
Cc1c(OC2OC(CO)C(O)C(O)C2O)c(C)c(OC2OC(CO)C(O)C(O)C2O)c2c1OC(c1ccccc1)CC2OAglycone:
Cc1c(O)c(C)c2c(c1O)C(O)CC(c1ccccc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.61 | Num_heavy_atoms: | 43 |
| TPSA: | 228.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD51761
Formula: C17H18O4
Smiles:
Cc1c(O)c(C)c2c(c1O)C(O)CC(c1ccccc1)O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
