Glycoside
GD115359
Name:
2-{3-[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]-4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H46O17Smiles:
COc1cc(C=CCc2c(C=CCO)cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c2OC)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CCc2c(C=CCO)cc(OC)c(O)c2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 15 |
| MolWt: | 726.73 | Num_heavy_atoms: | 51 |
| TPSA: | 255.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD45617
Formula: C22H26O7
Smiles:
COc1cc(C=CCc2c(C=CCO)cc(OC)c(O)c2OC)cc(OC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
