Glycoside
GD141673
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6,8-dimethyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O13Smiles:
Cc1c(O)c2c(c(C)c1OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)OC(c1ccccc1)CC2=OAglycone:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccccc1)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD49877
Formula: C17H16O4
Smiles:
Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccccc1)O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
