Glycoside
GD117473
Name:
(6-{2-[4-(acetyloxy)phenyl]-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C25H26O11Smiles:
CC(=O)OCC1OC(c2c(O)ccc3c2OC(c2ccc(OC(C)=O)cc2)CC3=O)C(O)C(O)C1OAglycone:
CC(=O)Oc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.47 | Num_heavy_atoms: | 36 |
| TPSA: | 169.05 | 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 |
AD46841
Formula: C17H14O5
Smiles:
CC(=O)Oc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
