Glycoside
GD138870
Name:
2-{[1,4-bis(3,4-dihydroxyphenyl)-6a-hydroxy-hexahydrofuro[3,4-c]furan-3a-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C24H28O12Smiles:
CC1OC(OC23COC(c4ccc(O)c(O)c4)C2(O)COC3c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
Oc1ccc(C2OCC3(O)C(c4ccc(O)c(O)c4)OCC23O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD56029
Formula: C18H18O8
Smiles:
Oc1ccc(C2OCC3(O)C(c4ccc(O)c(O)c4)OCC23O)cc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
