Glycoside
GD116305
Name:
2-({4,10-dihydroxy-9-methoxy-1,3-dimethyl-1H,3H,4H-naphtho[2,3-c]pyran-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C28H38O15Smiles:
COc1cccc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c3c(c(O)c12)C(C)OC(C)C3OAglycone:
COc1cccc2c(O)c3c(c(O)c12)C(C)OC(C)C3OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.6 | Num_heavy_atoms: | 43 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD46156
Formula: C16H18O5
Smiles:
COc1cccc2c(O)c3c(c(O)c12)C(C)OC(C)C3O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
