Glycoside
GD130216
Name:
7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O10Smiles:
CC1OC(Oc2ccc3c(c2)OC(c2cc(O)c(O)c(O)c2)CC3=O)C(O)C(O)C1OAglycone:
O=C1CC(c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD52768
Formula: C15H12O6
Smiles:
O=C1CC(c2cc(O)c(O)c(O)c2)Oc2cc(O)ccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
