Glycoside
GD125003
Name:
2-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl}methoxy)-6-methyloxane-3,4,5-triolFormula:
C26H40O17Smiles:
COc1cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)C(O)C2O)cc(OC)c1OCAglycone:
COc1cc(O)cc(OC)c1OCSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 624.59 | Num_heavy_atoms: | 43 |
| TPSA: | 244.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
