Glycoside
GD136795
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C34H44O18Smiles:
CC1CC(OC2C(OC3C(=O)c4c(O)cc(OC5OC(C)C(O)C(O)C5O)cc4OC3c3ccc(O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1CC(O)C(O)C(O)C1O.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 740.71 | Num_heavy_atoms: | 52 |
| TPSA: | 294.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD04886
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
AD46185
Formula: C7H14O4
Smiles:
CC1CC(O)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
