Glycoside
GD144515
Name:
2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-[(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy]oxane-3,4,5-triolFormula:
C27H36O16Smiles:
Cc1cc(O)c2c(OC3OC(COC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)ccc(O)c2c1Aglycone:
Cc1cc(O)c2c(O)ccc(O)c2c1Sugarmoiety:
OC1COC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 616.57 | Num_heavy_atoms: | 43 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD50957
Formula: C11H10O3
Smiles:
Cc1cc(O)c2c(O)ccc(O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
