Glycoside
GD133856
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-3,6-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}oxan-2-yl)methyl 2-(4-methoxyphenyl)acetateFormula:
C35H40O15Smiles:
COc1ccc(CC(=O)OCC2OC(OC3OC(c4ccc(O)c(OC)c4)C4C(O)OC(c5ccc(O)c(OC)c5)C34)C(O)C(O)C2O)cc1Aglycone:
COC(=O)Cc1ccc(OC)cc1.COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.69 | Num_heavy_atoms: | 50 |
| TPSA: | 212.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD10837
Formula: C20H22O8
Smiles:
COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
AD54158
Formula: C10H12O3
Smiles:
COC(=O)Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
