Glycoside
GD136161
Name:
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C22H22O12Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)cc1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD03897
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
