Glycoside
GD149889
Name:
3,4,5-trihydroxy-6-[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenoxy]oxane-2-carboxylic acidFormula:
C21H22O9Smiles:
O=C(O)C1OC(Oc2ccc(C3COc4cc(O)ccc4C3)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C2COc3cc(O)ccc3C2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD59911
Formula: C15H14O3
Smiles:
Oc1ccc(C2COc3cc(O)ccc3C2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
