Glycoside
GD134363
Name:
4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoateFormula:
C33H44O19Smiles:
O=C(CCc1ccc(O)c(O)c1)OC1C(COC2OCC(O)(CO)C2O)OC(OCCc2ccc(O)c(O)c2)C(O)C1OC1OCC(O)(CO)C1OAglycone:
O=C(O)CCc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(OC3OCC(O)(CO)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 744.7 | Num_heavy_atoms: | 52 |
| TPSA: | 304.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD45057
Formula: C9H10O4
Smiles:
O=C(O)CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
