Glycoside
GD118977
Name:
2-({6-[4-(7-hydroxy-2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H28O13Smiles:
OCC1OC(Oc2cc(C3OCC4C(c5cc(O)c6c(c5)OCO6)OCC34)cc3c2OCO3)C(O)C(O)C1OAglycone:
Oc1cc(C2OCC3C(c4cc(O)c5c(c4)OCO5)OCC23)cc2c1OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD47612
Formula: C20H18O8
Smiles:
Oc1cc(C2OCC3C(c4cc(O)c5c(c4)OCO5)OCC23)cc2c1OCO2| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
