Glycoside
GD146442
Name:
2-[6-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,3-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H38O16Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc(C2COc3cc(O)ccc3C2)c(OC2OC(CO)C(O)C(O)C2O)c1OCAglycone:
COc1c(O)cc(C2COc3cc(O)ccc3C2)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD58723
Formula: C17H18O6
Smiles:
COc1c(O)cc(C2COc3cc(O)ccc3C2)c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
