Glycoside
GD133604
Name:
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylateFormula:
C16H16O10Smiles:
COC(=O)C1OC(Oc2cc(O)c3c(=O)ccoc3c2)C(O)C(O)C1OAglycone:
O=c1ccoc2cc(O)cc(O)c12Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.29 | Num_heavy_atoms: | 26 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD22716
Formula: C9H6O4
Smiles:
O=c1ccoc2cc(O)cc(O)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
