Glycoside
GD158153
Name:
ethyl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylateFormula:
C23H24O11Smiles:
CCOC(=O)C1OC(Oc2cc(O)c3c(c2)OC(c2ccccc2O)CC3=O)C(O)C(O)C1OAglycone:
CCOC=O.O=C1CC(c2ccccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD10917
Formula: C3H6O2
Smiles:
CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD42318
Formula: C15H12O5
Smiles:
O=C1CC(c2ccccc2O)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
