Glycoside
GD099807
Name:
methyl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(2-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylateFormula:
C22H22O11Smiles:
COC(=O)[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccccc2O)CC3=O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CC(c2ccccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
