Glycoside
GD124116
Name:
2-{[9-(3,4-dihydroxyphenyl)-2,3,5-trihydroxy-6,7-dihydro-5H-benzo[7]annulen-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H26O11Smiles:
OCC1OC(OC2CC=C(c3ccc(O)c(O)c3)c3cc(O)c(O)cc3C2O)C(O)C(O)C1OAglycone:
Oc1ccc(C2=CCC(O)C(O)c3cc(O)c(O)cc32)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 200.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD50117
Formula: C17H16O6
Smiles:
Oc1ccc(C2=CCC(O)C(O)c3cc(O)c(O)cc32)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 121.38 | NumAromaticRings: | 2 |
