Glycoside
GD145004
Name:
3-[9-hydroxy-10-(hydroxymethyl)-3,7-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-2-yl]prop-2-enalFormula:
C26H30O11Smiles:
COc1ccc2c(c1)C(O)C(CO)c1cc(C=CC=O)c(OC)c(OC3OC(CO)C(O)C(O)C3O)c1-2Aglycone:
COc1ccc2c(c1)C(O)C(CO)c1cc(C=CC=O)c(OC)c(O)c1-2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD58233
Formula: C20H20O6
Smiles:
COc1ccc2c(c1)C(O)C(CO)c1cc(C=CC=O)c(OC)c(O)c1-2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
