Glycoside
GD138574
Name:
2-{[2-(3,4-dihydroxycyclohexa-2,4-dien-1-yl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}oxane-3,4,5-triolFormula:
C20H24O9Smiles:
OC1=CCC(C2Oc3cc(O)ccc3CC2OC2OCC(O)C(O)C2O)C=C1OAglycone:
OC1=CCC(C2Oc3cc(O)ccc3CC2O)C=C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 149.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD55919
Formula: C15H16O5
Smiles:
OC1=CCC(C2Oc3cc(O)ccc3CC2O)C=C1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
