Glycoside
GD142860
Name:
{3,4,5-trihydroxy-6-[(5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxan-2-yl}methyl acetateFormula:
C25H28O10Smiles:
CC(=O)OCC1OC(Oc2c(C)c(O)c3c(c2C)OC(c2ccccc2)CC3=O)C(O)C(O)C1OAglycone:
COC(C)=O.Cc1c(O)c(C)c2c(c1O)C(=O)CC(c1ccccc1)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.49 | Num_heavy_atoms: | 35 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
