Glycoside
GD140840
Name:
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acidFormula:
C22H24O12Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45348
Formula: C16H16O6
Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
