Glycoside
GD133200
Name:
NeoagarohexaoseFormula:
C36H56O28Smiles:
OCC1OC(O)C(O)C(OC2OC3COC(C2O)C3OC2OC(CO)C(O)C(OC3OC4COC(C3O)C4OC3OC(CO)C(O)C(OC4OC5COC(C5O)C4O)C3O)C2O)C1OAglycone:
OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2O.OC1OC2COC(C1O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -10.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 936.82 | Num_heavy_atoms: | 64 |
| TPSA: | 412.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD02564
Formula: C6H10O5
Smiles:
OC1OC2COC(C1O)C2O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
