Glycoside
GD156262
Name:
[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-4-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H42O20Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(O)COC(OC4COC(O)C(O)C4O)C3O)C(O)C2OC2OCC(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1COC(OC2C(O)OC(OC3C(O)COC(OC4COC(O)C(O)C4O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.65 | Num_heavy_atoms: | 50 |
| TPSA: | 302.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
