Glycoside
GD158394
Name:
2-({6-[4-(7-hydroxy-2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C32H38O17Smiles:
CC1OC(OCC2OC(Oc3cc4c(cc3C3OCC5C(c6cc(O)c7c(c6)OCO7)OCC35)OCO4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2c(cc1C1OCC3C(c4cc(O)c5c(c4)OCO5)OCC13)OCO2Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 694.64 | Num_heavy_atoms: | 49 |
| TPSA: | 233.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD62529
Formula: C20H18O8
Smiles:
Oc1cc2c(cc1C1OCC3C(c4cc(O)c5c(c4)OCO5)OCC13)OCO2| 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 |
